CAS 20913-07-9 | Benzenetridecanoic acid | CAS Number 20913-07-9

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20913-07-9 | Benzenetridecanoic acid

CAS No: 20913-07-9 Catalog No: AG002K2B MDL No:

Product Description

Catalog Number:

AG002K2B

Chemical Name:

Benzenetridecanoic acid

CAS Number:

20913-07-9

Molecular Formula:

C19H30O2

Molecular Weight:

290.4403

IUPAC Name:

13-phenyltridecanoic acid

InChI:

InChI=1S/C19H30O2/c20-19(21)17-13-8-6-4-2-1-3-5-7-10-14-18-15-11-9-12-16-18/h9,11-12,15-16H,1-8,10,13-14,17H2,(H,20,21)

InChI Key:

JVPLVXRNWLOHML-UHFFFAOYSA-N

SMILES:

OC(=O)CCCCCCCCCCCCc1ccccc1

Properties

Complexity:

244

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

290.225g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

290.447g/mol

Monoisotopic Mass:

290.225g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.8

Literature

Title	Journal
Selected Extracts of Chinese Herbal Medicines: Their Effect on NF-κB, PPARα and PPARγ and the Respective Bioactive Compounds.	Evidence-based complementary and alternative medicine : eCAM 20120101
Phenyl-terminated fatty acids in seeds of various aroids.	Phytochemistry 20040801
The cytotoxicity and chemical constituents of the hexane fraction of Typhonium flagelliforme (Araceace).	Journal of ethnopharmacology 20010901