Basic information
- CAS
3233-36-1- Standard SMILES
C=CC(=O)Oc1ccc(O)cc1- InChIKey
NIUHGYUFFPSEOW-UHFFFAOYSA-N- Molecular formula
- C9H8O3
- Average molar mass
- 164.16 g/mol
- Monoisotopic mass
- 164.04734411
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Propenoic acid, 4-hydroxyphenyl ester
- IUPAC
- (4-hydroxyphenyl) prop-2-enoate
- English name
- p-hydroxyphenyl acrylate
- Molecular formula
- C9H8O3
- Molecular weight
- 164.16
Names & synonyms
p-Hydroxyphenyl acrylate3233-36-12-Propenoic acid, 4-hydroxyphenyl esterK665Q5LZ3JDTXSID30186063RefChem:910243DTXCID40108554221-777-44-hydroxyphenyl acrylate(4-hydroxyphenyl) prop-2-enoate2-Propenoic acid,4-hydroxyphenyl ester4-hydroxyphenyl prop-2-enoate
Show more names
Acrylic acid p-hydroxyphenyl esterAcrylic acid 4-hydroxyphenyl esterPropenoic acid 4-hydroxyphenyl ester
EINECS 221-777-4UNII-K665Q5LZ3JSCHEMBL140760SCHEMBL10694888SCHEMBL28091098NS00029261
Database identifiers
- CAS
3233-36-1- PubChem CID
- 76709
- DTXSID
DTXSID30186063- UNII
- K665Q5LZ3J
- EC Number
- 221-777-4
- Nikkaji
- J262.338B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 309.4 · 309.4±21.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 9.35 · 9.35±0.15(Predicted)
- FDA UNII
- 665 Q5LZ3J · K665Q5LZ3J
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers14 total
杭州杰恒化工有限公司0571-87396432 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
常州平博医药研发有限公司086-0519-83990708 18915800124 · [email protected]
Xuzhou B&C Chemical Technology Co., Ltd+86-400-0516-021 +86-15190678838 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
海蔚化学86-21-51086038 · [email protected]
Changzhou PBpharmaceutical R&D Co.,Ltd0519-83990708 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
Related reactions
1 records
Compound notes
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