ChemFOnt: Showing chemical card for Resin, from formaldehyde, acetone, and tetraethylenepentamine (CFc000335371)

Record Information

Version

1.0

Creation Date

Update Date

2022-09-14 05:27:53 UTC

Chemfont ID

CFc000335371

Molecule Identification

Common Name

Resin, from formaldehyde, acetone, and tetraethylenepentamine

Definition

It is used as a food additive .

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
2,3-Benzfluoranthene	ChEBI
2,3-Benzofluoranthene	ChEBI
3,4-Benzfluoranthene	ChEBI
b(b)F	ChEBI
BF	ChEBI
benzo(b)Fluoranthene	MeSH

Chemical Formula

C₂₀H₁₂

Average Molecular Weight

252.3093

Monoisotopic Molecular Weight

252.093900384

IUPAC Name

pentacyclo[10.7.1.0²,⁷.0⁸,²⁰.0¹³,¹⁸]icosa-1(19),2,4,6,8(20),9,11,13,15,17-decaene

Traditional Name

benzo(B)fluoranthene

CAS Registry Number

9006-70-6

SMILES

C1=CC=C2C(=C1)C1=CC3=CC=CC=C3C3=CC=CC2=C13

InChI Identifier

InChI=1S/C20H12/c1-2-7-14-13(6-1)12-19-16-9-4-3-8-15(16)18-11-5-10-17(14)20(18)19/h1-12H

InChI Key

FTOVXSOBNPWTSH-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Phenanthrenes and derivatives

Sub Class

Not Available

Direct Parent

Phenanthrenes and derivatives

Alternative Parents

Substituents

Phenanthrene
Naphthalene
Aromatic hydrocarbon
Polycyclic hydrocarbon
Unsaturated hydrocarbon
Hydrocarbon
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic compounds

External Descriptors

ortho- and peri-fused polycyclic arene (CHEBI:34565 )

Functional Ontology

Not Available

Exogenous (FooDB: )

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	5.2e-06 g/L	ALOGPS
logP	6.23	ALOGPS
logP	5.27	ChemAxon
logS	-7.7	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	83.17 m³·mol⁻¹	ChemAxon
Polarizability	29.45 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

8799

KEGG Compound ID

C14320

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Benzo(b)fluoranthene

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

34565

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Resin, from formaldehyde, acetone, and tetraethylenepentamine (CFc000335371)

MOL for CFc000335371 (Resin, from formaldehyde, acetone, and tetraethylenepentamine)

3D MOL for CFc000335371 (Resin, from formaldehyde, acetone, and tetraethylenepentamine)

3D SDF for CFc000335371 (Resin, from formaldehyde, acetone, and tetraethylenepentamine)

3D-SDF for CFc000335371 (Resin, from formaldehyde, acetone, and tetraethylenepentamine)

PDB for CFc000335371 (Resin, from formaldehyde, acetone, and tetraethylenepentamine)

3D PDB for CFc000335371 (Resin, from formaldehyde, acetone, and tetraethylenepentamine)

SMILES for CFc000335371 (Resin, from formaldehyde, acetone, and tetraethylenepentamine)

INCHI for CFc000335371 (Resin, from formaldehyde, acetone, and tetraethylenepentamine)

Structure for CFc000335371 (Resin, from formaldehyde, acetone, and tetraethylenepentamine)

3D Structure for CFc000335371 (Resin, from formaldehyde, acetone, and tetraethylenepentamine)