Basic information
- CAS
35391-85-6- Standard SMILES
CCOC(=O)c1ccc(C2CC2)cc1- InChIKey
DWMHLKSASWMUFX-UHFFFAOYSA-N- Molecular formula
- C12H14O2
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.09937969
Names & identifiers
- Preferred name
- Ethyl 4-cyclopropylbenzoate
- IUPAC
- ethyl 4-cyclopropylbenzoate
- English name
- 4-cyclopyl-benzoic-acid ethyl ester
- Molecular formula
- C12H14O2
- Molecular weight
- 190.24
Names & synonyms
ethyl 4-cyclopropylbenzoate35391-85-6DTXSID10635044RefChem:343947DTXCID905857954-cyclopyl-benzoic-acid ethyl esterethyl4-cyclopropylbenzoateSCHEMBL4003420DWMHLKSASWMUFX-UHFFFAOYSA-N4cyclopropyl-benzoic acid ethyl ester4-cyclopropyl-benzoic acid ethyl esterAKOS015917396
Show more names
4-cyclopropylbenzoic acid ethyl esterBenzoic acid, 4-cyclopropyl-, ethyl ester
DA-06509F52089
Database identifiers
- CAS
35391-85-6- PubChem CID
- 23577288
- DTXSID
DTXSID10635044- Nikkaji
- J2.595.078J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Boiling point
- 132 °C · 132 °C(Press: 7 Torr)
- Density
- 1.06 g/cm3 · 1.060 g/cm3
Chemistry & industry
Suppliers5 total
上海堃睿化工科技有限公司+86-021-50935922
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
Related reactions
7 records
Compound notes
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