3-Hydroxy-2-nitrobenzoic Acid - CAS 602-00-6
Catalog: |
BB030618 |
Product Name: |
3-Hydroxy-2-nitrobenzoic Acid |
CAS: |
602-00-6 |
Synonyms: |
3-hydroxy-2-nitrobenzoic acid; 3-hydroxy-2-nitrobenzoic acid |
IUPAC Name: | 3-hydroxy-2-nitrobenzoic acid |
Description: | 3-Hydroxy-2-nitrobenzoic Acid (CAS# 602-00-6) is a compound useful in organic synthesis. |
Molecular Weight: | 183.12 |
Molecular Formula: | C7H5NO5 |
Canonical SMILES: | C1=CC(=C(C(=C1)O)[N+](=O)[O-])C(=O)O |
InChI: | InChI=1S/C7H5NO5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H,(H,10,11) |
InChI Key: | KPDBKQKRDJPBRM-UHFFFAOYSA-N |
Boiling Point: | 363 °C |
Density: | 1.631 g/cm3 |
MDL: | MFCD00017003 |
LogP: | 1.52180 |
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 |
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Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.01677226 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.01677226 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 103 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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