3-Nitrotricyclo(3.3.1.13,7)decane-1-carboxylic acid

HCID 39239CAS 42711-76-2

Basic information

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

Chemistry & industry

Suppliers1 total

Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18

Related reactions

8 records

Linked notes

Loading…