3-cyclopentylbenzoic acid

CAT: 0127-OR1097413-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1097413-01Size:250 mg

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CAS Number

19920-79-7

MDL Number

MFCD20486552

Purity

95%

Smiles

C1 (cccc (c1) C (=O) O) C1CCCC1

Chemical Information

3-Cyclopentylbenzoic acid

CAS Number	19920-79-7
PubChem CID	277923
IUPAC Name	3-cyclopentylbenzoic acid
Molecular Formula	C12H14O2
Molecular Weight	190.24
XLogP	4
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	206

SMILES

C1CCC(C1)C2=CC(=CC=C2)C(=O)O

InChI

InChI=1S/C12H14O2/c13-12(14)11-7-3-6-10(8-11)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,13,14)

InChIKey

GQVWASOWRGJNCI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19920-79-7

CID: 277923

Formula: C12H14O2

MW: 190.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	190.24
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	190.099379685
Monoisotopic Mass	190.099379685
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	206
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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OR74605-01	3,3-Dimethoxycyclobutanecarboxylic acid
OR1010741-01	3,3’-Disulfanediyldibenzoic Acid
OR317125-01	3,3-Dimethylcyclobutanecarboxylic acid
OR350117-01	3,3-Diphenylpropionic acid
PC6057	3,3-Difluoroglutaric acid
OR306499	3,3-Dimethylcyclopentanecarboxylic acid

Catalog	Name
UAA92079-01	3-Cyclopentylbenzoic acid
UAA93622-01	4-Cyclopentylbenzoic acid
34825450-01	3,3',5-Triiodothyroacetic acid, free acid
C7173-500	3,3-Dimethylglutaric acid
HY-W016614	3,3'-Thiodipropanoic acid
FAA96183-01	3,3-oxydipropanoic acid
TRC-D445368-10MG	3,3-Difluorocyclopentanecarboxylic Acid
TRC-D491725-25G	3,3-Diphenylpropionic Acid
sc-209691	3,3'-Dithiobisbenzoic Acid
sc-347292	3,3-dicyclopropylpropanoic acid