1- (1-Cyclohexen-1-yl) -cyclohexanecarboxylic acid

CAT: 0926-RCA50053-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-RCA50053-01Size:250 mg

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CAS Number

66500-53-6

Smiles

C1CCC (CC1) (C2=CCCCC2) C (=O) O

Molecular Formula

C13H20O2

Molecular Weight

208.3 g/mol

Controlled

Chemical Information

1-(Cyclohexen-1-yl)cyclohexane-1-carboxylic acid

CAS Number	66500-53-6
PubChem CID	2753329
IUPAC Name	1-(cyclohexen-1-yl)cyclohexane-1-carboxylic acid
Molecular Formula	C13H20O2
Molecular Weight	208.30
XLogP	3.4
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	272

SMILES

C1CCC(CC1)(C2=CCCCC2)C(=O)O

InChI

InChI=1S/C13H20O2/c14-12(15)13(9-5-2-6-10-13)11-7-3-1-4-8-11/h7H,1-6,8-10H2,(H,14,15)

InChIKey

YZSDPXWUIKTOJR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 66500-53-6

CID: 2753329

Formula: C13H20O2

MW: 208.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.30
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	208.146329876
Monoisotopic Mass	208.146329876
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	272
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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HEB30880-01	1- (4-Bromophenyl) cyclohexanecarboxylic acid
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