Methyl 3-Hydroxy-2-nitrobenzoate - CAS 89942-77-8
Catalog: |
BB039701 |
Product Name: |
Methyl 3-Hydroxy-2-nitrobenzoate |
CAS: |
89942-77-8 |
Synonyms: |
3-hydroxy-2-nitrobenzoic acid methyl ester; methyl 3-hydroxy-2-nitrobenzoate |
IUPAC Name: | methyl 3-hydroxy-2-nitrobenzoate |
Description: | Methyl 3-Hydroxy-2-nitrobenzoate (CAS# 89942-77-8) is a useful research chemical. |
Molecular Weight: | 197.14 |
Molecular Formula: | C8H7NO5 |
Canonical SMILES: | COC(=O)C1=C(C(=CC=C1)O)[N+](=O)[O-] |
InChI: | InChI=1S/C8H7NO5/c1-14-8(11)5-3-2-4-6(10)7(5)9(12)13/h2-4,10H,1H3 |
InChI Key: | FHCNMPYMCKHBTK-UHFFFAOYSA-N |
Boiling Point: | 309.958 ℃ at 760 mmHg |
Density: | 1.433 g/cm3 |
LogP: | 1.61020 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113429410-A | Polyheterocyclic substituted pyrimidine or pyridylamine derivatives, compositions and medical uses thereof | 20200323 |
WO-2020239952-A1 | Amino quinazoline derivatives as p2x3 inhibitors | 20190531 |
AU-2018289759-A1 | Alpha, beta-unsaturated amide compound | 20170623 |
CA-3068158-A1 | .alpha.,.beta.-unsaturated amide compound | 20170623 |
CN-110770211-A | α unsaturated amide compound | 20170623 |
Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.03242232 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.03242232 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 92.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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