3-Hydroxybenzamide - CAS 618-49-5
Catalog: |
BB031290 |
Product Name: |
3-Hydroxybenzamide |
CAS: |
618-49-5 |
Synonyms: |
3-hydroxybenzamide; 3-hydroxybenzamide |
IUPAC Name: | 3-hydroxybenzamide |
Description: | 3-Hydroxybenzamide (CAS# 618-49-5) is a useful research chemical. |
Molecular Weight: | 137.14 |
Molecular Formula: | C7H7NO2 |
Canonical SMILES: | C1=CC(=CC(=C1)O)C(=O)N |
InChI: | InChI=1S/C7H7NO2/c8-7(10)5-2-1-3-6(9)4-5/h1-4,9H,(H2,8,10) |
InChI Key: | NGMMGKYJUWYIIG-UHFFFAOYSA-N |
Boiling Point: | 318.3 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.286 g/cm3 |
MDL: | MFCD00017572 |
LogP: | 1.19140 |
GHS Hazard Statement: | H302 (50%): 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 |
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PMID | Publication Date | Title | Journal |
19064318 | 20090115 | Antibacterial alkoxybenzamide inhibitors of the essential bacterial cell division protein FtsZ | Bioorganic & medicinal chemistry letters |
15857135 | 20050505 | Structural requirements for factor Xa inhibition by 3-oxybenzamides with neutral P1 substituents: combining X-ray crystallography, 3D-QSAR, and tailored scoring functions | Journal of medicinal chemistry |
8894104 | 19960901 | Structure-based design of achiral, nonpeptidic hydroxybenzamide as a novel P2/P2' replacement for the symmetry-based HIV protease inhibitors | Bioorganic & medicinal chemistry |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 137.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 137.047678466 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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