7-Azabicyclo(2.2.1)heptadiene-7-carboxylic acid, methyl ester

HCID 145010

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Basic information

CAS: 83060-75-7
Standard SMILES: COC(=O)N1C2C=CC1C=C2
InChIKey: GOUQEOKPYFEDKY-UHFFFAOYSA-N
Molecular formula: C8H9NO2
Average molar mass: 151.16 g/mol
Monoisotopic mass: 151.06332853

Names & identifiers

Preferred name: 7-Azabicyclo(2.2.1)heptadiene-7-carboxylic acid, methyl ester
IUPAC: methyl 7-azabicyclo[2.2.1]hepta-2,5-diene-7-carboxylate
English name: 7-Azabicyclo(2.2.1)heptadiene-7-carboxylic acid, methyl ester
Molecular formula: C8H9NO2
Molecular weight: 0

Names & synonyms

83060-75-77-Azabicyclo(2.2.1)heptadiene-7-carboxylic acid, methyl esterDTXSID902321517-Azabicyclo[2.2.1]heptadiene-7-carboxylic acid, methyl esterRefChem:310298DTXCID90154642methyl 7-azabicyclo[2.2.1]hepta-2,5-diene-7-carboxylate7-Azabicyclo[2.2.1]hepta-2,5-diene-7-carboxylicacid,methylester(9CI)

Database identifiers

CAS: 83060-75-7
PubChem CID: 145010
DTXSID: DTXSID90232151

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 214

Chemistry & industry

Suppliers2 total

CHEMSTEP[email protected]

HONEST JOY HOLDINGS LIMITED[email protected]

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Compound notes

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