Basic information
- CAS
63867-15-2- Standard SMILES
CCCC(=O)Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
GQHIYWICVGCZRB-UHFFFAOYSA-N- Molecular formula
- C11H12N2O6
- Average molar mass
- 268.22 g/mol
- Monoisotopic mass
- 268.06953611
Names & identifiers
- Preferred name
- Butyric acid, ester with 4,6-dinitro-o-cresol
- IUPAC
- (2-methyl-4,6-dinitrophenyl) butanoate
Names & synonyms
4,6-Dinitro-o-cresol butyrateBRN 254251963867-15-2BUTYRIC ACID, ester with 4,6-DINITRO-o-CRESOLDTXSID50213300NSC 404435RefChem:331337DTXCID10135791NSC4044352-methyl-4,6-dinitrophenyl butanoateButanoic acid,6-dinitrophenyl esterNSC-404435
Database identifiers
- CAS
63867-15-2- PubChem CID
- 44847
- DTXSID
DTXSID50213300- Nikkaji
- J65.882K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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