3-Nitrotricyclo(3.3.1.13,7)decane-1-carboxylic acid
Basic information
- CAS
42711-76-2- Standard SMILES
O=C(O)C12CC3CC(C1)CC([N+](=O)[O-])(C3)C2- InChIKey
VSRRAGQUKPLYMV-UHFFFAOYSA-N- Molecular formula
- C11H15NO4
- Average molar mass
- 225.24 g/mol
- Monoisotopic mass
- 225.10010796
Names & identifiers
- Preferred name
- 3-Nitrotricyclo(3.3.1.13,7)decane-1-carboxylic acid
- IUPAC
- 3-nitroadamantane-1-carboxylic acid
- English name
- 3-nitroadamantane-1-carboxylic acid
- Molecular formula
- C11H15NO4
- Molecular weight
- 225.24
Names & synonyms
42711-76-23-Nitrotricyclo[3.3.1.13,7]decane-1-carboxylic acid3-Nitrotricyclo(3.3.1.13,7)decane-1-carboxylic acidRefChem:10683543-nitroadamantane-1-carboxylic acid1-Nitro-3-adamantanecarboxylic acid3-nitro-1-adamantanecarboxylic acidTricyclo[3.3.1.13,7]decane-1-carboxylicacid, 3-nitro-BRN 26572603-nitroadamantanecarboxylic acid3-ADAMANTANECARBOXYLIC ACID, 1-NITRO-1-carboxy-3-nitroadamantane
Show more names
Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 3-nitro-
SCHEMBL5608271DTXSID00962639VSRRAGQUKPLYMV-UHFFFAOYSA-NALBB-036517STK681907AKOS001749629NCGC00336867-01ST073006
Database identifiers
- CAS
42711-76-2- PubChem CID
- 39239
- DTXSID
DTXSID00962639
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 359
Related reactions
8 records
Compound notes
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