Basic information
- Standard SMILES
COc1ccc(C=CC(=O)O)cc1[N+](=O)[O-]- InChIKey
ZTPILCFVGFXZOA-UHFFFAOYSA-N- Molecular formula
- C10H9NO5
- Average molar mass
- 223.18 g/mol
- Monoisotopic mass
- 223.04807239
Names & identifiers
- Preferred name
- 3-{3-Nitro-4-methoxyphenyl}acrylic acid
- IUPAC
- 3-(4-methoxy-3-nitrophenyl)prop-2-enoic acid
- English name
- 4-METHOXY-3-NITROCINNAMIC ACID
- Molecular formula
- C10H9NO5
- Molecular weight
- 223.18
Names & synonyms
58435-22-63-{3-nitro-4-methoxyphenyl}acrylic acid3-(4-methoxy-3-nitrophenyl)prop-2-enoic acid3-(3-nitro-4-methoxyphenyl)acrylic acidSCHEMBL2411839SCHEMBL10415000DTXSID50356327ZTPILCFVGFXZOA-UHFFFAOYSA-N3-(4-Methoxy-3-nitro-phenyl)-acrylic acid3-(4-methoxy-3-nitro-phenyl)prop-2-enoic acidRARECHEM BK HW 0239SPECS AA-516/12432347
Show more names
4-METHOXY-3-NITROCINNAMIC ACID3-(4-methoxy-3-nitrophenyl)acrylic acid(E)-3-(4-methoxy-3-nitro-phenyl)acrylic acid2-Propenoic acid, 3-(4-methoxy-3-nitrophenyl)-(E)-3-(4-methoxy-3-nitrophenyl)prop-2-enoic acid(E)-3-(4-methoxy-3-nitro-phenyl)prop-2-enoic acid
Database identifiers
- CAS
58435-22-6- PubChem CID
- 821746
- DTXSID
DTXSID50356327
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Melting point
- 247 · 247-248 °C
- Boiling point
- 434.7 · 434.7±35.0 °C(Predicted)
- Density
- 1.387 · 1.387±0.06 g/cm3(Predicted)
- pka
- 4.28 · 4.28±0.10(Predicted)
Chemistry & industry
Suppliers4 total
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
成都海品信医药科技有限公司85114309 18982182443 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
2 records
Linked notes
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