Basic information
- CAS
6622-95-3- Standard SMILES
COc1cc(C=C[N+](=O)[O-])ccc1OC(C)=O- InChIKey
OTVNMEHTSLGKMY-UHFFFAOYSA-N- Molecular formula
- C11H11NO5
- Average molar mass
- 237.21 g/mol
- Monoisotopic mass
- 237.06372245
Names & identifiers
- Preferred name
- Acetic acid 2-methoxy-4-(2-nitro-vinyl)-phenyl ester
- IUPAC
- [2-methoxy-4-(2-nitroethenyl)phenyl] acetate
- English name
- 4-acetoxy-3-methoxy-omega-nitrostyrene
- Molecular formula
- C11H11NO5
- Molecular weight
- 237.21
Names & synonyms
CBMicro_025911Oprea1_799933SCHEMBL5929271DTXSID901235748AKOS0243316862-methoxy-4-(2-nitroethenyl)phenyl acetateACETIC ACID 2-METHOXY-4-(2-NITRO-VINYL)-PHENYL ESTER4-acetoxy-3-methoxy-omega-nitrostyrenePhenol, 2-methoxy-4-(2-nitroethenyl)-, 1-acetate
Database identifiers
- CAS
6622-95-3- PubChem CID
- 97889
- DTXSID
DTXSID901235748
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 309
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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