Basic information
- CAS
301678-29-5- Standard SMILES
COC(=O)c1cccc(NC(=O)/C=C/c2ccc(OC)cc2)c1- InChIKey
GTELWZAWOHKZQJ-DHZHZOJOSA-N- Molecular formula
- C18H17NO4
- Average molar mass
- 311.3 g/mol
- Monoisotopic mass
- 311.11575802
Names & identifiers
- Preferred name
- Methyl 3-((3-(4-methoxyphenyl)acryloyl)amino)benzoate
- IUPAC
- methyl 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
- English name
- Methyl 3-((3-(4-methoxyphenyl)acryloyl)amino)benzoate
- Molecular formula
- C18H17NO4
- Molecular weight
- 311.33
Names & synonyms
methyl 3-{[3-(4-methoxyphenyl)acryloyl]amino}benzoateMETHYL 3-((3-(4-METHOXYPHENYL)ACRYLOYL)AMINO)BENZOATEAKOS001610018BIM-0031882.P001ST50185906SR-01000416143SR-01000416143-1methyl 3-[(2E)-3-(4-methoxyphenyl)prop-2-enoylamino]benzoateBenzoic acid, 3-[[3-(4-methoxyphenyl)-1-oxo-2-propen-1-yl]amino]-, methyl ester
Database identifiers
- CAS
301678-29-5- PubChem CID
- 707205
- EC Number
- 144-561-0
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 427
Physicochemical properties
- Boiling point
- 538.314 · 538.314±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.229 · 1.229±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.4 · 13.400±0.70(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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