4-Oxo-cyclohexanecarboxylic acid methyl ester

CAT: 0024-sc-267714Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-267714Size:1 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

6297-22-9

Chemical Information

Methyl 4-oxocyclohexanecarboxylate

CAS Number	6297-22-9
PubChem CID	226643
IUPAC Name	methyl 4-oxocyclohexane-1-carboxylate
Molecular Formula	C8H12O3
Molecular Weight	156.18
XLogP	0.3
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	164

SMILES

COC(=O)C1CCC(=O)CC1

InChI

InChI=1S/C8H12O3/c1-11-8(10)6-2-4-7(9)5-3-6/h6H,2-5H2,1H3

InChIKey

BLYKGTCYDJZLFB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6297-22-9

CID: 226643

Formula: C8H12O3

MW: 156.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	156.18
XLogP3	0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	156.078644241
Monoisotopic Mass	156.078644241
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	164
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
sc-303143	1-Amino-cyclohexanecarboxylic acid methyl ester
sc-476530	Trans-4- (2-Propynyl) cyclohexanecarboxylic Acid Methyl Ester
sc-306940	2-Benzyl-4-oxo-cyclohexanecarboxylic acid
sc-232846	4-Methyl-1-cyclohexanecarboxylic acid
sc-268799	Cyclohexanecarboxylic acid ethyl ester
sc-336498	(4-Oxo-cyclohexyl) -acetic acid methyl ester
sc-260075A	2-Oxo-4-phenylbutyric acid methyl ester
sc-260075	2-Oxo-4-phenylbutyric acid methyl ester
sc-226169	3-Oxo-1-cyclohexanecarboxylic acid
sc-229520	Trans-4-Methyl-1-cyclohexanecarboxylic acid

Catalog	Name
OR951132-01	4-Oxo-cyclohexanecarboxylic acid methyl ester
OR1077025	Cyclohexanecarboxylic acid, 4-methyl-, methyl ester
MBS6025562-01	Cyclohexanecarboxylic Acid Methyl Ester
JH917979	4- (Acetylamino-methyl) -cyclohexanecarboxylic acid methyl ester
PC520700-01	4- (Trifluoromethyl) cyclohexanecarboxylic acid methyl ester
163234	Cyclohexanecarboxylic Acid Methyl Ester-d11
HY-W298180-01	4-Amino-cyclohexanecarboxylic acid methyl ester hydrochloride
JH59898	Cis-4-Hydroxymethyl-cyclohexanecarboxylic acid methyl ester
MBS6021296-01	trans-4-(2-Propynyl)cyclohexanecarboxylic Acid Methyl Ester
OR1099188	Cyclohexanecarboxylic acid, 4-formylphenyl ester