Basic information
- CAS
113293-77-9- Standard SMILES
COC(=O)C=C(N)c1cccc([N+](=O)[O-])c1- InChIKey
BVIKJDUKITYPIQ-UHFFFAOYSA-N- Molecular formula
- C10H10N2O4
- Average molar mass
- 222.2 g/mol
- Monoisotopic mass
- 222.0640568
Names & identifiers
- Preferred name
- Methyl 3-amino-3-(3-nitrophenyl)prop-2-enoate
- IUPAC
- methyl 3-amino-3-(3-nitrophenyl)prop-2-enoate
Names & synonyms
113293-77-9METHYL 3-AMINO-3-(3-NITROPHENYL)PROP-2-ENOATESCHEMBL6661153DTXSID80741429BVIKJDUKITYPIQ-UHFFFAOYSA-Nmethyl 3-amino-3-(3-nitrophenyl)acrylatemethyl 3-amino-3-(3-nitrophenyl)-acrylate
Database identifiers
- CAS
113293-77-9- PubChem CID
- 69855994
- DTXSID
DTXSID80741429
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 308
Related reactions
10 records
Compound notes
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