4-Cyclopentylbenzoic acid

CAT: 0127-OR1086800-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1086800-01Size:250 mg

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CAS Number

19936-22-2

MDL Number

MFCD11111737

Purity

97%

Smiles

C1c (ccc (c1) C (=O) O) C1CCCC1

Chemical Information

4-Cyclopentylbenzoic acid

CAS Number	19936-22-2
PubChem CID	14163671
IUPAC Name	4-cyclopentylbenzoic acid
Molecular Formula	C12H14O2
Molecular Weight	190.24
XLogP	3.6
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	198

SMILES

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

InChI

InChI=1S/C12H14O2/c13-12(14)11-7-5-10(6-8-11)9-3-1-2-4-9/h5-9H,1-4H2,(H,13,14)

InChIKey

URANGAMHASGWGX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19936-22-2

CID: 14163671

Formula: C12H14O2

MW: 190.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	190.24
XLogP3	3.6
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	198
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
OR1097413-01	3-cyclopentylbenzoic acid
PC3392-01	4,4,4-Trifluorocrotonic acid
OR73423-01	4,4',4''-Nitrilotribenzoic acid
OR0757	4,4,4-Trichlorobutyric acid
PC7292-01	4,4,4-Trifluorobutanoic acid
OR1048070-01	4,4',4''-Phosphanetriyltribenzoic acid
OR91009-01	4,4',4''-Phosphoryltribenzoic acid
OR1078760-01	4,4'-Isopropylidenediphenoxyacetic Acid
OR1030844-01	4,4’-Disulfanediyldibutanoic Acid
PC102838-01	4,4-Difluorobutanoic acid

Catalog	Name
UAA93622-01	4-Cyclopentylbenzoic acid
UAA92079-01	3-Cyclopentylbenzoic acid
M2952-64	4-Mercaptophenylbutyric Acid (4- (4-Mercaptophenyl) butyric Acid)
MBS6028591-01	4-Mercaptophenylbutyric Acid (4-(4-Mercaptophenyl)butyric Acid)
sc-277680	4,4,4-Trichlorobutyric acid
sc-262191	4,4,4-Trifluorobutyric acid
FN31014-01	4,4',4''-Nitrilotribenzoic acid
FD54832-01	4,4'-Dibenzoic acid
FD22559-01	4,4'-Dithiobisbenzoic acid
433558-01	4,4'-Biphenyldiboronic acid