Basic information
- CAS
900254-26-4- Standard SMILES
CCOC(=O)C1CC1c1cccc(OC)c1- InChIKey
PJGRLHKICHVEIJ-UHFFFAOYSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.10994437
Names & identifiers
- Preferred name
- Cyclopropanecarboxylic acid, 2-(3-methoxyphenyl)-, ethyl ester
- IUPAC
- ethyl 2-(3-methoxyphenyl)cyclopropane-1-carboxylate
- English name
- ethyl 2-(3-methoxyphenyl)cyclopropanecarboxylate
- Molecular formula
- C13H16O3
- Molecular weight
- 220.26
Names & synonyms
900254-26-4Cyclopropanecarboxylic acid, 2-(3-methoxyphenyl)-, ethyl esterRefChem:336263ethyl 2-(3-methoxyphenyl)cyclopropanecarboxylateethyl 2-(3-methoxyphenyl)cyclopropane-1-carboxylateEthyl (1R,2R)-2-(3-Methoxyphenyl)cyclopropanecarboxylateSCHEMBL1208046PJGRLHKICHVEIJ-UHFFFAOYSA-NDTXSID90117989571778-34-2MFCD32642173MFCD32642174
Show more names
SY266317SY266318DB-297304ethyl2-(3-methoxyphenyl)cyclopropanecarboxylateF140502-(3-methoxy-phenyl)-cyclopropanecarboxylic acid ethyl ester
Database identifiers
- CAS
900254-26-4- PubChem CID
- 19358490
- DTXSID
DTXSID901179895
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Boiling point
- 306.5 · 306.5±35.0 °C(Predicted)
- Density
- 1.126 · 1.126±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
ASTATECH[email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
6 records
Compound notes
Loading…