| CAS Number | 19006-46-3 |
| Catalog Number | AG002EA5(AGN-PC-009AIO) |
| Chemical Name | 4-Hydroxy-3-nitrocinnamic acid |
| IUPAC Name | (E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoic acid |
| InChI | InChI=1S/C9H7NO5/c11-8-3-1-6(2-4-9(12)13)5-7(8)10(14)15/h1-5,11H,(H,12,13)/b4-2+ |
| InChI Key | HCGMDTLRKLJPHE-DUXPYHPUSA-N |
| MDL Number | MFCD03002795 |
| Molecular Formula | C9H7NO5 |
| Molecular Weight | 209.1556 |
| SMILES | OC(=O)C=Cc1ccc(c(c1)[N+](=O)[O-])O |
| Synonyms | 19006-46-3,
4-hydroxy-3-nitrocinnamic acid,
3-nitro-4-hydroxycinnamic acid,
SCHEMBL2785445,
4-hydroxy-3-nitro-cinnamic acid,
HCGMDTLRKLJPHE-DUXPYHPUSA-N,
ZINC2504916,
SC-38858,
3-(3-Nitro-4-hydroxyphenyl)propenoic acid,
3-(4-Hydroxy-3-nitrophenyl)-2-propenoic acid,
(2E)-3-(4-hydroxyl-3-nitrophenyl)acrylic acid,
2-Propenoic acid, 3-(4-hydroxy-3-nitrophenyl)-,
(E)-3-(4-HYDROXY-3-NITROPHENYL)ACRYLIC ACID,
CID11447129,
(E)-3-(4-hydroxy-3-nitro-phenyl)prop-2-enoic Acid,
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| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 209.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.157g/mol |
| Monoisotopic Mass | 209.032g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 103A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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