Basic information
- Standard SMILES
COC(=O)C12CC3CC(CC(C(=O)Cl)(C3)C1)C2- InChIKey
PAACGZBMRLLEPD-UHFFFAOYSA-N- Molecular formula
- C13H17ClO3
- Average molar mass
- 256.72 g/mol
Names & identifiers
- Preferred name
- 3-Methoxycarbonyladamantane-1-carboxylic Acid Chloride
- IUPAC
- methyl 3-carbonochloridoyladamantane-1-carboxylate
Names & synonyms
SCHEMBL5859987PAACGZBMRLLEPD-UHFFFAOYSA-N3-Methoxycarbonyladamantane-1-carboxylic Acid Chloride
Database identifiers
- PubChem CID
- 54178337
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 376
Related reactions
4 records
Compound notes
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