trans-1,3-Diphenyl-2,3-epoxypropan-1-one - CAS 7570-86-7
Catalog: |
BB035383 |
Product Name: |
trans-1,3-Diphenyl-2,3-epoxypropan-1-one |
CAS: |
7570-86-7 |
Synonyms: |
phenyl-(3-phenyloxiran-2-yl)methanone |
IUPAC Name: | phenyl-(3-phenyloxiran-2-yl)methanone |
Description: | trans-1,3-Diphenyl-2,3-epoxypropan-1-one (CAS# 7570-86-7) is a potent and selective inhibitor of cytosolic epoxide hydrolase. Also mutagenic. |
Molecular Weight: | 224.25 |
Molecular Formula: | C15H12O2 |
Canonical SMILES: | C1=CC=C(C=C1)C2C(O2)C(=O)C3=CC=CC=C3 |
InChI: | InChI=1S/C15H12O2/c16-13(11-7-3-1-4-8-11)15-14(17-15)12-9-5-2-6-10-12/h1-10,14-15H |
InChI Key: | UQGMJZQVDNZRKT-UHFFFAOYSA-N |
Boiling Point: | 374.1 ℃ at 760 mmHg |
Density: | 1.209 g/cm3 |
LogP: | 3.00940 |
GHS Hazard Statement: | H315 (11.63%): Causes skin irritation [Warning Skin corrosion/irritation]; H317 (88.37%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H319 (11.63%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P313, P337+P317, P362+P364, and P501 |
Signal Word: | Warning |
Complexity: | 275 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.083729621 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 29.6 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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