Basic information
- CAS
50795-82-9- Standard SMILES
O=C(O)C12CC3CC(CC(O[N+](=O)[O-])(C3)C1)C2- InChIKey
MMKIPPCYRFXALZ-UHFFFAOYSA-N- Molecular formula
- C11H15NO5
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.09502258
Names & identifiers
- Preferred name
- 3-(Nitrooxy)adamantane-1-carboxylic acid
- IUPAC
- 3-nitrooxyadamantane-1-carboxylic acid
Names & synonyms
50795-82-93-(nitrooxy)adamantane-1-carboxylic acidDTXSID80965027RefChem:1067202DTXCID5013927041-Hydroxy-3-adamantanecarboxylic acid nitrateTricyclo[3.3.1.13,7]decane-1-carboxylicacid, 3-(nitrooxy)-3-nitrooxyadamantane-1-carboxylic acidBRN 26592283-ADAMANTANECARBOXYLIC ACID, 1-HYDROXY-, NITRATE (ester)SCHEMBL3401542MMKIPPCYRFXALZ-UHFFFAOYSA-N
Show more names
STL4066443-nitroxyadamantane-1-carboxylic acidAKOS0041178973-(nitrooxy)-1-adamantanecarboxylic acidCS-003/03948039Z567973253-(nitrooxy)tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid
Database identifiers
- CAS
50795-82-9- PubChem CID
- 39795
- DTXSID
DTXSID80965027
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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