Basic information
- CAS
117390-07-5- Standard SMILES
COC(=O)c1ccc(/C=C/C(=O)O)cc1- InChIKey
PVHMYONDAPXJSB-QPJJXVBHSA-N- Molecular formula
- C11H10O4
- Average molar mass
- 206.19 g/mol
Names & identifiers
- Preferred name
- (2E)-3-(4-(methoxycarbonyl)phenyl)prop-2-enoic acid
- IUPAC
- (E)-3-(4-methoxycarbonylphenyl)prop-2-enoic acid
- English name
- (2E)-3-[4-(methoxycarbonyl)phenyl]prop-2-enoic acid
- Molecular formula
- C11H10O4
- Molecular weight
- 206.19
Names & synonyms
117390-07-5(2E)-3-[4-(methoxycarbonyl)phenyl]prop-2-enoic acid(2E)-3-(4-(methoxycarbonyl)phenyl)prop-2-enoic acidRefChem:396477825-357-7(E)-4-carbomethoxycinnamic acid(E)-3-(4-methoxycarbonylphenyl)prop-2-enoic acid4-(2-Carboxy-vinyl)-benzoic acid methyl esterMFCD03002800(E)-3-(4-(methoxycarbonyl)phenyl)acrylic acid3-(4-(methoxycarbonyl)phenyl)acrylic acid4-(2-Carboxyvinyl)benzoic acid methyl ester
Show more names
(2-E)-3-[4-(methyloxycarbonyl)phenyl]propyl-2-eneacid
Methyl 4-(2-carboxyethenyl)benzoatebenzoic acid, 4-[(1E)-2-carboxyethenyl]-, 1-methyl ester4-(2-Carboxyethenyl)benzoic Acid Methyl Ester(E)-3-[4-(methoxycarbonyl)phenyl]acrylic acid3-[4-(Methoxycarbonyl)phenyl]acrylic Acid4-methoxycarbonyl cinnamic acidp-Carbomethoxycinnamic Acid; p-Methoxycarbonylcinnamic Acid3-(4-methoxycarbonylphenyl)prop-2-enoic acid
Database identifiers
- CAS
117390-07-5- PubChem CID
- 1472795
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Melting point
- 246 · 246-247 °C(Solv: water (7732-18-5); methanol (67-56-1))
- Boiling point
- 374.5 · 374.5±25.0 °C(Predicted)
- Density
- 1.265 · 1.265±0.06 g/cm3(Predicted)
- pka
- 4.25 · 4.25±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers10 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
济南光尘医药科技有限公司18563726319 · [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]
武汉万鉴生物科技有限公司13277087647 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
Related reactions
3 records
Compound notes
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