1-Methyl-1,2-cyclohexanedicarboxylic acid

HCID 114473
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Basic information

CAS
13185-53-0
Standard SMILES
CC1(C(=O)O)CCCCC1C(=O)O
InChIKey
PMUPSYZVABJEKC-UHFFFAOYSA-N
Molecular formula
C9H14O4
Average molar mass
186.2 g/mol
Monoisotopic mass
186.08920892

Names & identifiers

Preferred name
1-Methyl-1,2-cyclohexanedicarboxylic acid
IUPAC
1-methylcyclohexane-1,2-dicarboxylic acid
English name
1-methylcyclohexane-1,2-dicarboxylic acid
Molecular formula
C9H14O4
Molecular weight
186.20506

Names & synonyms

1-Methylcyclohexane-1,2-dicarboxylic acid13185-53-0DTXSID009273691-Methyl-1,2-cyclohexanedicarboxylic acidRefChem:1055716DTXCID401356161236-139-0EINECS 236-139-0methyl-hexahydrophthalic acidSCHEMBL158905SCHEMBL27935261NS00052862
Show more names
1,2-Cyclohexanedicarboxylic acid, 1-methyl-

Database identifiers

CAS
13185-53-0
PubChem CID
114473
DTXSID
DTXSID00927369
EC Number
236-139-0
Nikkaji
J169.069H

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
74.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
13

Chemistry & industry

Suppliers1 total

陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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