3-Hydroxy-4-methyl-2-nitrobenzoic acid - CAS 6946-15-2
Catalog: |
BB033838 |
Product Name: |
3-Hydroxy-4-methyl-2-nitrobenzoic acid |
CAS: |
6946-15-2 |
Synonyms: |
3-hydroxy-4-methyl-2-nitrobenzoic acid |
IUPAC Name: | 3-hydroxy-4-methyl-2-nitrobenzoic acid |
Description: | 3-Hydroxy-4-methyl-2-nitrobenzoic acid (CAS# 6946-15-2) is a useful research chemical. |
Molecular Weight: | 197.14 |
Molecular Formula: | C8H7NO5 |
Canonical SMILES: | CC1=C(C(=C(C=C1)C(=O)O)[N+](=O)[O-])O |
InChI: | InChI=1S/C8H7NO5/c1-4-2-3-5(8(11)12)6(7(4)10)9(13)14/h2-3,10H,1H3,(H,11,12) |
InChI Key: | HEKGHQKEERXLOI-UHFFFAOYSA-N |
Boiling Point: | 379.7 °C at 760 mmHg |
Density: | 1.534 g/cm3 |
Appearance: | Yellow crystalline powder |
MDL: | MFCD00007106 |
LogP: | 1.83020 |
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 |
EP-2892345-A1 | Use of substituted 2-amidobenzimidazoles, 2-amidobenzoxazoles and 2-amidobenzothiazoles or salts thereof as active substances against abiotic plant stress | 20120905 |
WO-2014037340-A1 | Use of substituted 2-amidobenzimidazoles, 2-amidobenzoxazoles and 2-amidobenzothiazoles or salts thereof as active substances against abiotic plant stress | 20120905 |
EP-2367805-A2 | Modified actinomycin-based nucleic acid stains and methods of their use | 20081027 |
EP-2367805-B1 | Modified actinomycin-based nucleic acid stains and methods of their use | 20081027 |
US-2011236887-A1 | Modified actinomycin-based nucleic acid stains and methods of their use | 20081027 |
Complexity: | 249 |
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: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.03242232 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 103 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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