3-(Methoxycarbonyl)-4-nitrobenzoic Acid - CAS 64152-09-6
Catalog: |
BB032381 |
Product Name: |
3-(Methoxycarbonyl)-4-nitrobenzoic Acid |
CAS: |
64152-09-6 |
Synonyms: |
3-methoxycarbonyl-4-nitrobenzoic acid; 3-methoxycarbonyl-4-nitrobenzoic acid |
IUPAC Name: | 3-methoxycarbonyl-4-nitrobenzoic acid |
Description: | 3-(Methoxycarbonyl)-4-nitrobenzoic Acid (CAS# 64152-09-6) is a useful research chemical. |
Molecular Weight: | 225.15 |
Molecular Formula: | C9H7NO6 |
Canonical SMILES: | COC(=O)C1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-] |
InChI: | InChI=1S/C9H7NO6/c1-16-9(13)6-4-5(8(11)12)2-3-7(6)10(14)15/h2-4H,1H3,(H,11,12) |
InChI Key: | KRACQAXEQJJYLE-UHFFFAOYSA-N |
Boiling Point: | 415.924 °C at 760 mmHg |
Density: | 1.484 g/cm3 |
LogP: | 1.60280 |
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 |
CN-113072597-A | Method for synthesizing On-DNA carbonyl diazacyclo compound | 20200103 |
AU-2015311333-A1 | Quinolinone compound and use thereof | 20140902 |
AU-2015311333-B2 | Quinolinone compound and use thereof | 20140902 |
EP-3190104-A1 | Quinolinone compound and use thereof | 20140902 |
JP-2017525737-A | Quinolinone compounds and their use in drugs | 20140902 |
Complexity: | 310 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.02733694 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.02733694 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 109 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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