Basic information
- CAS
50712-64-6- Standard SMILES
CCOC(=O)C(C)c1ccc([N+](=O)[O-])cc1- InChIKey
GMOOHUQPPFJAQB-UHFFFAOYSA-N- Molecular formula
- C11H13NO4
- Average molar mass
- 223.22 g/mol
- Monoisotopic mass
- 223.0844579
Names & identifiers
- Preferred name
- Ethyl 2-(4-nitrophenyl)propionate
- IUPAC
- ethyl 2-(4-nitrophenyl)propanoate
- English name
- ethyl 2-(4-nitrophenyl)propionate
- Molecular formula
- C11H13NO4
- Molecular weight
- 223.22522
Names & synonyms
ethyl 2-(4-nitrophenyl)propanoate50712-64-6Ethyl 2-(4-nitrophenyl)propionateEINECS 256-732-8ethyl (+/-)-2-(4-nitrophenyl)propionateSCHEMBL4136472DTXSID50964961ethyl2-(4-nitrophenyl)propanoateMFCD12031819ethyl alpha-(4-nitrophenyl)-propionateDA-05376SY296791
Show more names
ETHYL 2-(4-NITROPHENYL)PROPANOATE(WXG01190)Benzeneacetic acid, α-methyl-4-nitro-, ethyl ester
CS-0312121NS000578572-(4-Nitro-phenyl)-propionic acid ethyl esterF80345F720385
Database identifiers
- CAS
50712-64-6- PubChem CID
- 3016550
- DTXSID
DTXSID50964961- EC Number
- 256-732-8
- Nikkaji
- J3.548.621F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Boiling point
- 320.6 · 320.6±25.0 °C(Predicted)
- Density
- 1.188 · 1.188±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers6 total
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
34 records
Compound notes
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