Basic information
- CAS
35688-72-3- Standard SMILES
CCOC(=O)/C(C#N)=C\c1ccc2ccccc2c1- InChIKey
OCPOYALXTVXRED-UHFFFAOYSA-N- Molecular formula
- C16H13NO2
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.09462866
Names & identifiers
- Preferred name
- Ethyl (2Z)-2-cyano-3-(naphthalen-2-yl)prop-2-enoate
- IUPAC
- ethyl (Z)-2-cyano-3-naphthalen-2-ylprop-2-enoate
- English name
- 2-Cyano-3-naphthalen-2-yl-acrylic acid ethyl ester
- Molecular formula
- C16H13NO2
- Molecular weight
- 251.28
Names & synonyms
Ethyl (2Z)-2-cyano-3-(naphthalen-2-yl)prop-2-enoate35688-72-3ethyl (Z)-2-cyano-3-naphthalen-2-ylprop-2-enoateMFCD070212892-Cyano-3-naphthalen-2-yl-acrylic acid ethyl esterNSC121230AKOS005257071NSC-121230ethyl (Z)-2-cyano-3-(2-naphthyl)prop-2-enoateZ44297901Ethyl 2-cyano-3-(2-naphthalenyl)-2-propenoate2-Propenoic acid, 2-cyano-3-(2-naphthalenyl)-, ethyl ester
Database identifiers
- CAS
35688-72-3- PubChem CID
- 5428362
- Nikkaji
- J3.057.063D
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 404
Physicochemical properties
- Melting point
- 112 °C · 112 °C
- Boiling point
- 428.824 · 428.824±33.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.193 · 1.193±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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