3- (2-Oxo-cyclohexyl) -propionic acid

CAT: 0024-sc-309540Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-309540Size:500 mg

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CAS Number

2275-26-5

Chemical Information

2-Oxocyclohexanepropanoic acid

CAS Number	2275-26-5
PubChem CID	98393
IUPAC Name	3-(2-oxocyclohexyl)propanoic acid
Molecular Formula	C9H14O3
Molecular Weight	170.21
XLogP	0.8
Topological Polar Surface Area	54.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	186

SMILES

C1CCC(=O)C(C1)CCC(=O)O

InChI

InChI=1S/C9H14O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h7H,1-6H2,(H,11,12)

InChIKey

JCIZEWRBCTUEFG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2275-26-5

CID: 98393

Formula: C9H14O3

MW: 170.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.21
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	170.094294304
Monoisotopic Mass	170.094294304
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	186
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-309409	3- (2-Cyclohexyl-benzoimidazol-1-yl) -propionic acid
sc-289258A	3-tert-Butoxycarbonylamino-3-cyclohexyl-propionic acid
sc-289258	3-tert-Butoxycarbonylamino-3-cyclohexyl-propionic acid
sc-304855	2- (2-Oxo-benzooxazol-3-yl) -propionic acid
sc-309539	3- (2-Oxo-benzothiazol-3-yl) -propionic acid
sc-311731	3- (1-Cyclohexyl-1H-benzoimidazol-2-ylsulfanyl) -propionic acid
sc-310064	3- (5-Oxo-pyrrolidin-2-yl) -propionic acid
sc-322160	3- (2-Bromophenyl) -3-oxo-propionic acid methyl ester
sc-283535	3- (2-Methoxyphenyl) -3-oxo-propionic acid methyl ester
sc-309837	3- (4-Cyclohexyl-piperazin-1-yl) -propionic acid

Catalog	Name
TRC-O849855-250MG	3-(2-Oxo-cyclohexyl)-propionic Acid
422520-01	3- (2-Oxo-cyclohexyl) -propionic Acid
OR307571-01	3-tert-Butoxycarbonylamino-3-cyclohexyl-propionic acid
HAA76686-01	3- (5-Oxo-pyrrolidin-2-yl) -propionic acid
OR97357-01	3- (4-Cyano-phenyl) -2-oxo-propionic acid
abx180451-01	3-Oxo-Propionic Acid Ethyl Ester
OR947059	3-Oxo-3- (2-tolyl) propionic acid methyl ester
283728-01	3- (2-Methoxy-phenyl) -3-oxo-propionic acid methyl ester
OR912862-01	3-Oxo-3-thiophen-2-yl-propionic acid methyl ester
425210-01	3-Cyano-2-oxo-propionic Acid Ethyl Ester Sodium Salt