4-Hydroxy-1-methylcyclohexanecarboxylic acid

CAT: 0926-DFC84404-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-DFC84404-01Size:100 mg

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CAS Number

1378844-04-2

MDL Number

MFCD19981967

Smiles

CC1 (CCC (CC1) O) C (=O) O

Molecular Formula

C8H14O3

Molecular Weight

158.19 g/mol

Controlled

Chemical Information

4-Hydroxy-1-methylcyclohexanecarboxylic acid

CAS Number	1378844-04-2
PubChem CID	13236237
IUPAC Name	4-hydroxy-1-methylcyclohexane-1-carboxylic acid
Molecular Formula	C8H14O3
Molecular Weight	158.19
XLogP	0.7
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	157

SMILES

CC1(CCC(CC1)O)C(=O)O

InChI

InChI=1S/C8H14O3/c1-8(7(10)11)4-2-6(9)3-5-8/h6,9H,2-5H2,1H3,(H,10,11)

InChIKey

NRJADRDKYOBCKH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1378844-04-2

CID: 13236237

Formula: C8H14O3

MW: 158.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	158.19
XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	158.094294304
Monoisotopic Mass	158.094294304
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	157
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
UCA16435-01	1-amino-4-methylcyclohexanecarboxylic acid
FCA55084-01	1-Amino-3-methylcyclohexanecarboxylic acid
QIC01313-01	1-Hydroxy-4,4-dimethylcycloheptane-1-carboxylic acid
NDC97147-01	1-Hydroxy-4,4-dimethylcyclohexane-1-carboxylic acid
EAA35084	4-Hydroxy-1-cyclohexanecarboxylic Acid ́-Lactone
GAA09957-01	4-Hydroxy-1-naphthalenesulfonic acid sodium
UJB97025	1- (4-Hydroxy-phenyl) -cyclopropanecarboxylic acid
XDA36415-01	4- (1-Hydroxy-ethyl) -benzoic acid
FH43257	4-Hydroxy-1,3-benzenedisulfonic acid
RJC84068-01	1-Hydroxy-4-methylcycloheptane-1-carboxylic acid

Catalog	Name
OR1006474	Trans-4-Hydroxy-1-methylcyclohexanecarboxylic acid
433152-01	4-Methylcyclohexanecarboxylic Acid
158507	1-Methylcyclohexanecarboxylic Acid
OR1067837-01	Cis-4-Methylcyclohexanecarboxylic acid
TRC-M294767-1MG	1-Methylcyclohexanecarboxylic Acid-d10
433153-01	4-Methylcyclohexanecarboxylic Acid Methyl Ester
OR1076968-01	4- ((Tert-Butoxycarbonyl) Amino) -1-Methylcyclohexanecarboxylic Acid
TRC-M294837-5MG	1-Methylcyclohexanecarboxylic Acid-d10 Methyl Ester
sc-238752	4-Acetyl-3,5-dioxo-1-methylcyclohexanecarboxylic acid
RG-P022552-01	4-Hydroxy-1-Naphthoic Acid