Cyclopentanecarboxylic Acid

CAT: 0572-TRC-C988410-5GSize: 5 gDry Ice: NoHazardous: No

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CAT#:0572-TRC-C988410-5GSize:5 g

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CAS Number

3400-45-1

Synonyms

Cyclopentanoic Acid; Cyclopentylcarboxylic Acid; NSC 59714;

Hazard Statement

No Data Available

Smiles

OC(=O)C1CCCC1

Molecular Formula

C6H10O2

Molecular Weight

114.14

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

Cyclopentanecarboxylic acid

Cyclopentanecarboxylic acid is a carboxylic acid.

CAS Number	3400-45-1
PubChem CID	18840
IUPAC Name	cyclopentanecarboxylic acid
Molecular Formula	C6H10O2
Molecular Weight	114.14
XLogP	1.3
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	92

SMILES

C1CCC(C1)C(=O)O

InChI

InChI=1S/C6H10O2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H,7,8)

InChIKey

JBDSSBMEKXHSJF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3400-45-1

CID: 18840

Formula: C6H10O2

MW: 114.14

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	114.14
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	114.068079557
Monoisotopic Mass	114.068079557
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	92.7
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

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RG-E140362-01	Cyclopentanecarboxylic acid
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sc-264956	1-Phenylamino-cyclopentanecarboxylic acid
408331-01	1- (Benzyloxycarbonylamino) cyclopentanecarboxylic acid
sc-273117	1- (phenylsulfonyl) cyclopentanecarboxylic acid
OR94591	3- (Ethoxycarbonyl) cyclopentanecarboxylic acid
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sc-332774A	1- (4-bromophenyl) cyclopentanecarboxylic acid

Cyclopentanecarboxylic Acid

Chemical Information

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