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72615-38-4 | 5(4H)-Oxazolone, 2-(4-methylphenyl)-4-(phenylmethylene)-, (4Z)-
CAS No: 72615-38-4 Catalog No: AG005FSW MDL No:
Product Description
Catalog Number:
AG005FSW
Chemical Name:
5(4H)-Oxazolone, 2-(4-methylphenyl)-4-(phenylmethylene)-, (4Z)-
CAS Number:
72615-38-4
Molecular Formula:
C17H13NO2
Molecular Weight:
263.2906
IUPAC Name:
4-benzylidene-2-(4-methylphenyl)-1,3-oxazol-5-one
InChI:
InChI=1S/C17H13NO2/c1-12-7-9-14(10-8-12)16-18-15(17(19)20-16)11-13-5-3-2-4-6-13/h2-11H,1H3
InChI Key:
CQBYEKYOZUQQPY-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1=N/C(=C\c2ccccc2)/C(=O)O1
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.296g/mol
Monoisotopic Mass:
263.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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