(Z)-3-(3-Aminophenyl)acrylic acid
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Basic information
- CAS
1194826-85-1- Standard SMILES
Nc1cccc(/C=C\C(=O)O)c1- InChIKey
JNXMJSYJCFTLJB-PLNGDYQASA-N- Molecular formula
- C9H9NO2
- Average molar mass
- 163.17 g/mol
Names & identifiers
- Preferred name
- (Z)-3-(3-Aminophenyl)acrylic acid
- IUPAC
- (Z)-3-(3-aminophenyl)prop-2-enoic acid
- English name
- (2Z)-3-(3-Aminophenyl)-2-propenoic Acid
- Molecular formula
- C9H9NO2
- Molecular weight
- 163.17
Names & synonyms
1194826-85-1(2Z)-3-(3-Aminophenyl)-2-propenoic Acid(Z)-3-(3-Aminophenyl)acrylic acid(Z)-3-(3-aminophenyl)prop-2-enoic acid1664-56-8(2Z)-3-(3-aminophenyl)prop-2-enoic acidSCHEMBL1003575NSC31674NSC-316742-Propenoic acid, 3-(3-aminophenyl)-, (2Z)-
Database identifiers
- CAS
1194826-85-1- Nikkaji
- J35.823A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Melting point
- 193 °C · 193 °C
- Boiling point
- 380 · 380.0±25.0 °C(Predicted)
- Density
- 1.281 · 1.281±0.06 g/cm3(Predicted)
- pka
- 4.7 · 4.70±0.10(Predicted)
Chemistry & industry
Applications
Uses(2Z)-3-(3-Aminophenyl)-2-propenoic Acid is a useful synthetic intermediate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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