4-((2-Methoxyphenyl)amino)-4-oxo-2-butenoic acid
Basic information
- CAS
36847-94-6- Standard SMILES
COc1ccccc1NC(=O)C=CC(=O)O- InChIKey
HGLMERMZXFKZOL-UHFFFAOYSA-N- Molecular formula
- C11H11NO4
- Average molar mass
- 221.21 g/mol
- Monoisotopic mass
- 221.06880783
Names & identifiers
- Preferred name
- 4-((2-Methoxyphenyl)amino)-4-oxo-2-butenoic acid
- IUPAC
- 4-(2-methoxyanilino)-4-oxobut-2-enoic acid
- English name
- N-(2-Methoxyphenyl)maleamic acid
- Molecular formula
- C11H11NO4
- Molecular weight
- 221.21
Names & synonyms
36847-94-64-((2-Methoxyphenyl)amino)-4-oxo-2-butenoic acid4-[(2-Methoxyphenyl)amino]-4-oxo-2-butenoic acidRefChem:286330(Z)-4-(2-methoxyanilino)-4-oxobut-2-enoic acid4-(2-methoxyanilino)-4-oxobut-2-enoic acidN-(2-METHOXYPHENYL)MALEAMIC ACID4-((2-Methoxyphenyl)amino)-4-oxobut-2-enoic acid(Z)-4-(2-methoxyanilino)-4-oxo-but-2-enoic acidNCIOpen2_002768CBDivE_005624DTXSID50289666
Show more names
ST5410779AKOS AUF0562MLS000776562SMR000371804ASISCHEM Z41742N-(O-METHOXYPHENYL)MALEAMIC ACID
MFCD00136426AKOS0307483344-(2-methoxyanilino)-4-oxo-but-2-enoic acidG799382-Butenoic acid, 4-[(2-methoxyphenyl)amino]-4-oxo-, (2Z)-
Database identifiers
- CAS
36847-94-6- PubChem CID
- 247653
- DTXSID
DTXSID50289666- EC Number
- 669-067-7
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Melting point
- 143 · 143-145°C
- Boiling point
- 468.9 · 468.9±45.0 °C(Predicted)
- Density
- 1.318 · 1.318±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 3.48 · 3.48±0.10(Predicted)
- Appearance
- Light yellow to yellow Solid
- CAS DataBase Reference
- 36847 · 36847-94-6
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 36/37/38
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Suppliers
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Compound notes
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