3-Methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid

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Basic information

CAS: 4397-23-3
Standard SMILES: CC1C2C=CC(C2)C1C(=O)O
InChIKey: SSVKYZDOIWXDIO-UHFFFAOYSA-N
Molecular formula: C9H12O2
Average molar mass: 152.19 g/mol
Monoisotopic mass: 152.08372962

Names & identifiers

Preferred name: 3-Methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
IUPAC: 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Names & synonyms

6-Methylbicyclo[2.2.1]hept-2-ene-5-carboxylic acid53624-84-34397-23-33-Methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acidSCHEMBL352543DTXSID90963155SSVKYZDOIWXDIO-UHFFFAOYSA-NNSC110658NSC167492NSC167991NSC167999NSC-110658

Show more names

NSC-167492NSC-167991NSC-167999DS-0059373-Methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid #4397-24-4

Database identifiers

CAS: 4397-23-3、4397-24-4、53624-84-3
PubChem CID: 269494
DTXSID: DTXSID90963155

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 220

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Compound notes

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