3-(carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid



Compound number:
MolPort-001-834-253
CAS number: 28664-02-0
IUPAC:
3-(carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid
IUPAC traditional:
3-(carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid
SMILES:
CC1(C)C(CC(O)=O)CC1C(O)=O
InChI key:
LEVONNIFUFSRKZ-UHFFFAOYSA-N
Molecular formula:
C9H14O4
Molecular weight: 186.207
Solubility: not available

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Compound Identifiers
Compound number: MolPort-001-834-253
CAS number: 28664-02-0

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000000399067
ZINC000000399068
ZINC000000399069
ZINC000000399070
3-carboxy-2,2-dimethylcyclobutanacetic acid
3-(carboxymethyl)-2,2-dimethylcyclobutanecarboxylic acid
Pinic Acid (Diastereomeric Mixture)

InChI
InChI: 1S/C9H14O4/c1-9(2)5(4-7(10)11)3-6(9)8(12)13/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChI key: LEVONNIFUFSRKZ-UHFFFAOYSA-N

Calculated Properties
Molecular formula: C9H14O4
Molecular weight: 186.207

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