6-Benzoyl-2-naphthol - CAS 52222-87-4
Catalog: |
BB027750 |
Product Name: |
6-Benzoyl-2-naphthol |
CAS: |
52222-87-4 |
Synonyms: |
(6-hydroxynaphthalen-2-yl)-phenylmethanone |
IUPAC Name: | (6-hydroxynaphthalen-2-yl)-phenylmethanone |
Description: | 6-Benzoyl-2-naphthol (CAS# 52222-87-4 ) is a useful research chemical. |
Molecular Weight: | 248.28 |
Molecular Formula: | C17H12O2 |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)C=C(C=C3)O |
InChI: | InChI=1S/C17H12O2/c18-16-9-8-13-10-15(7-6-14(13)11-16)17(19)12-4-2-1-3-5-12/h1-11,18H |
InChI Key: | MJKZGSBXCWNUHV-UHFFFAOYSA-N |
Boiling Point: | 453.8 °C at 760 mmHg |
Density: | 1.24 g/cm3 |
LogP: | 3.77640 |
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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PMID | Publication Date | Title | Journal |
17891152 | 20071101 | Chemical genetic interrogation of natural variation uncovers a molecule that is glycoactivated | Nature chemical biology |
Complexity: | 319 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.083729621 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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