Trans-4-Methyl-1-cyclohexanecarboxylic acid

CAT: 0024-sc-229520Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-229520Size:1 g

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CAS Number

13064-83-0

Chemical Information

4-Methylcyclohexanecarboxylic acid

CAS Number	13064-83-0
PubChem CID	20330
IUPAC Name	4-methylcyclohexane-1-carboxylic acid
Molecular Formula	C8H14O2
Molecular Weight	142.20
XLogP	2.1
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	123

SMILES

CC1CCC(CC1)C(=O)O

InChI

InChI=1S/C8H14O2/c1-6-2-4-7(5-3-6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)

InChIKey

QTDXSEZXAPHVBI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13064-83-0

CID: 20330

Formula: C8H14O2

MW: 142.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	142.20
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	142.099379685
Monoisotopic Mass	142.099379685
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	123
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-296565	Trans-2- (4-Methyl-benzoyl) -cyclohexanecarboxylic acid
sc-296565A	Trans-2- (4-Methyl-benzoyl) -cyclohexanecarboxylic acid
sc-484994	Trans-4- (Hydroxymethyl) cyclohexanecarboxylic Acid
sc-272646	Trans-4-Amino-cyclohexanecarboxylic acid
sc-391149	Trans-4- (Trifluoromethyl) cyclohexanecarboxylic Acid
sc-232846	4-Methyl-1-cyclohexanecarboxylic acid
sc-476530	Trans-4- (2-Propynyl) cyclohexanecarboxylic Acid Methyl Ester
sc-501201	Trans-4- (4-Chlorophenyl) cyclohexanecarboxylic Acid
sc-226127	3-Methyl-1-cyclohexanecarboxylic acid, mixture of cis and trans
sc-230493	2-Methyl-1-cyclohexanecarboxylic acid, mixture of cis and trans

Catalog	Name
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