m-Nitrohydrocinnamic acid - CAS 1664-57-9
Catalog: |
BB012285 |
Product Name: |
m-Nitrohydrocinnamic acid |
CAS: |
1664-57-9 |
Synonyms: |
3-(3-nitrophenyl)propanoic acid; 3-(3-nitrophenyl)propanoic acid |
IUPAC Name: | 3-(3-nitrophenyl)propanoic acid |
Description: | 3-(3-Nitrophenyl)propionic Acid (CAS# 1664-57-9) is a useful research chemical. |
Molecular Weight: | 195.17 |
Molecular Formula: | C9H9NO4 |
Canonical SMILES: | C1=CC(=CC(=C1)[N+](=O)[O-])CCC(=O)O |
InChI: | InChI=1S/C9H9NO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-3,6H,4-5H2,(H,11,12) |
InChI Key: | ZOANOABZUNJOJT-UHFFFAOYSA-N |
Boiling Point: | 379.4 °C at 760 mmHg |
Purity: | 98.0% |
Density: | 1.343 g/cm3 |
Solubility: | Other solvents(Soluble) : Methanol |
Appearance: | Solid |
MDL: | MFCD01310835 |
LogP: | 2.13520 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020155595-A1 | Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photocatalytic oxidation method therefor | 20190201 |
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PMID | Publication Date | Title | Journal |
21989585 | 20111201 | Short synthesis of ethyl 3-(3-aminophenyl)propanoate | Archiv der Pharmazie |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.05315777 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 83.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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