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93634-54-9 | (Z)-2-Methyl-4-(4-methylbenzylidene)oxazol-5(4H)-one
CAS No: 93634-54-9 Catalog No: AG006ET7 MDL No:MFCD00220066
Product Description
Catalog Number:
AG006ET7
Chemical Name:
(Z)-2-Methyl-4-(4-methylbenzylidene)oxazol-5(4H)-one
CAS Number:
93634-54-9
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD00220066
IUPAC Name:
(4Z)-2-methyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one
InChI:
InChI=1S/C12H11NO2/c1-8-3-5-10(6-4-8)7-11-12(14)15-9(2)13-11/h3-7H,1-2H3/b11-7-
InChI Key:
DRSAXSPSSHVKSE-XFFZJAGNSA-N
SMILES:
Cc1ccc(cc1)/C=C/1\N=C(OC1=O)C
Properties
Complexity:
323
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:
2.3
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