2-[(2-Ethoxyethoxy)carbonyl]-3-nitrobenzoic acid
Basic information
- CAS
7510-45-4- Standard SMILES
CCOCCOC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-]- InChIKey
YHEPEJSCNUFBQH-UHFFFAOYSA-N- Molecular formula
- C12H13NO7
- Average molar mass
- 283.23 g/mol
- Monoisotopic mass
- 283.06920175
Names & identifiers
- Preferred name
- 2-[(2-Ethoxyethoxy)carbonyl]-3-nitrobenzoic acid
- IUPAC
- 2-(2-ethoxyethoxycarbonyl)-3-nitrobenzoic acid
Names & synonyms
7510-45-4NSC4056842-[(2-Ethoxyethoxy)carbonyl]-3-nitrobenzoic acidDTXSID50324086NSC-405684
Database identifiers
- CAS
7510-45-4- PubChem CID
- 347173
- DTXSID
DTXSID50324086
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 365
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Compound notes
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