CAS 40228-90-8 | 7-Phenylheptanoic acid | CAS Number 40228-90-8

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40228-90-8 | 7-Phenylheptanoic acid

CAS No: 40228-90-8 Catalog No: AG003NGZ MDL No:MFCD00037801

Product Description

Catalog Number:

AG003NGZ

Chemical Name:

7-Phenylheptanoic acid

CAS Number:

40228-90-8

Molecular Formula:

C13H18O2

Molecular Weight:

206.2808

MDL Number:

MFCD00037801

IUPAC Name:

7-phenylheptanoic acid

InChI:

InChI=1S/C13H18O2/c14-13(15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2,(H,14,15)

InChI Key:

ZVSXKFNTWOIGJI-UHFFFAOYSA-N

SMILES:

OC(=O)CCCCCCc1ccccc1

Properties

Complexity:

171

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

206.131g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

206.285g/mol

Monoisotopic Mass:

206.131g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6

Literature

Title	Journal
Behaviour of sulcotrione and mesotrione in two soils.	Pest management science 20080101
Microbial synthesis of poly(beta-hydroxyalkanoates) bearing phenyl groups from pseudomonas putida: chemical structure and characterization.	Biomacromolecules 20010101