Basic information
- CAS
33745-48-1- Standard SMILES
C=Cc1cccc(C(=O)OCC)c1- InChIKey
POOPYNNRHGHNAA-UHFFFAOYSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.08372962
Names & identifiers
- Preferred name
- Ethyl 3-ethenylbenzoate
- IUPAC
- ethyl 3-ethenylbenzoate
- English name
- Benzoic acid, 3-ethenyl-, ethyl ester
- Molecular formula
- C11H12O2
- Molecular weight
- 176.21
Names & synonyms
33745-48-1Ethyl 3-ethenylbenzoateDTXSID30573030RefChem:343393DTXCID20523802Ethyl 3-vinylbenzoate3-Vinylbenzoic acid ethyl ester3-VINYL BENZOIC ACID ETHYL ESTERMFCD06204762Benzoic acid, 3-ethenyl-, ethyl esterEthyl3-vinylbenzoateSCHEMBL1506219
Show more names
3-Ethenyl-benzoic acid ethyl ester
SCHEMBL9024476SCHEMBL16618787SCHEMBL16618788AKOS006294730CS-W004199AS-47592F14502F513673
Database identifiers
- CAS
33745-48-1- PubChem CID
- 15467390
- DTXSID
DTXSID30573030- Nikkaji
- J1.364.235D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 187
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers13 total
上海冬洋生物科技有限公司0512-13601744364 13601744364 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
上海冬洋生物科技有限公司18657622632 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
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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