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87378-63-0 | 5(4H)-Oxazolone, 2-methyl-4-(1-phenylethylidene)-, (Z)-
CAS No: 87378-63-0 Catalog No: AG004GVF MDL No:
Product Description
Catalog Number:
AG004GVF
Chemical Name:
5(4H)-Oxazolone, 2-methyl-4-(1-phenylethylidene)-, (Z)-
CAS Number:
87378-63-0
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
IUPAC Name:
(4Z)-2-methyl-4-(1-phenylethylidene)-1,3-oxazol-5-one
InChI:
InChI=1S/C12H11NO2/c1-8(10-6-4-3-5-7-10)11-12(14)15-9(2)13-11/h3-7H,1-2H3/b11-8-
InChI Key:
DWVQEMHQNWOTDC-FLIBITNWSA-N
SMILES:
C/C(=C\1/N=C(OC1=O)C)/c1ccccc1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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