Basic information
- CAS
17041-46-2- Standard SMILES
CCOC(=O)C=Cc1ccccc1O- InChIKey
SRBYHEKXHQYMRN-UHFFFAOYSA-N- Molecular formula
- C11H12O3
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.07864424
Names & identifiers
- Preferred name
- Ethyl 3-(2-hydroxyphenyl)prop-2-enoate
- IUPAC
- ethyl 3-(2-hydroxyphenyl)prop-2-enoate
- English name
- Ethyl coumarate
- Molecular formula
- C11H12O3
- Molecular weight
- 192.21
Names & synonyms
ethyl 3-(2-hydroxyphenyl)prop-2-enoateDTXSID60937762RefChem:1084840DTXCID801366314Ethyl 3-(2-hydroxyphenyl)acrylateEthyl3-(2-hydroxyphenyl)acrylateICCB1_000053SCHEMBL3132306SRBYHEKXHQYMRN-UHFFFAOYSA-NBCB02_000008DB-3705533-(2-hydroxy-phenyl)-acrylic acid ethyl ester
Show more names
ETHYL P-HYDROXYCINNAMATEEthyl coumarateETHYL 4-COUMARATEETHYL 4-HYDROXYCINNAMATEEthyl 2-hydroxycinnamateEthyl o-hydroxycinnamateEthyl Coumarate 17041-46-2P-Hydroxyl ethyl cinnamateethyl (E)-3-(4-hydroxyphenyl)acrylate
Database identifiers
- CAS
17041-46-2- PubChem CID
- 576496
- DTXSID
DTXSID60937762
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Melting point
- 65 · 65-68°C
- Boiling point
- 322 ℃ · 322℃
- Density
- 1.162 · 1.162
- refractive index
- 1.46 · 1.4600 (estimate)
- Flash point
- 137 ℃ · 137℃
- pka
- 8.54 · 8.54±0.30(Predicted)
Chemistry & industry
Suppliers26 total
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京大田丰拓化学技术有限公司13651141086 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
南京春秋生物工程有限公司+8613815430202 · [email protected]
湖北远成药业有限公司18062666904 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
河南沃咖斯生物科技有限公司18537671377 · [email protected]
河南伊诺凯新材料有限公司15764055027 15764055027 · [email protected]
杭州安诚嘉信生物科技有限公司571-89925085 · [email protected]
Related reactions
6 records
Compound notes
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