7-Phenyl heptanoic acid

C₁₃H₁₈O₂CAS 40228-90-8206.28 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₃H₁₈O₂
Molar mass: 206.28 g/mol
Exact mass: 206.1307 Da
logP: 3.26Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

40228-90-8

SMILES

C1=CC=C(C=C1)CCCCCCC(=O)O

InChIKey

ZVSXKFNTWOIGJI-UHFFFAOYSA-N

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

7-Phenylheptanoic acid

Work with 7-Phenyl heptanoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

9-Phenylnonanoic acid16269-06-0100 % similar 8-Phenyloctanoic acid26547-51-3100 % similar Benzenepentadecanoic acid40228-93-1100 % similar 6-Phenylhexanoic acid5581-75-9100 % similar Benzenepentanoic acid2270-20-496 % similar 4-Phenylbutyric acid1821-12-185 % similar Phenylpropanoic acid501-52-074 % similar 16-(Benzyloxy)-16-oxohexadecanoic acid146004-98-066 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Isoamyl phenylacetate102-19-2 1-Adamantylacrylate121601-93-2 Phenylethyl isovalerate140-26-1 1-(4-Hydroxyphenyl)-1-heptanone14392-72-4 Ibuprofen15687-27-1 3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-6-yl propionate17511-60-3 4-Hexylbenzoic acid21643-38-9 Phenylethyl 2-methylbutyrate24817-51-4

Elsewhere

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