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18354-43-3 | 4(5H)-Oxazolone, 5-acetyl-2-(4-methoxyphenyl)-5-methyl-
CAS No: 18354-43-3 Catalog No: AG0027NN MDL No:
Product Description
Catalog Number:
AG0027NN
Chemical Name:
4(5H)-Oxazolone, 5-acetyl-2-(4-methoxyphenyl)-5-methyl-
CAS Number:
18354-43-3
Molecular Formula:
C13H13NO4
Molecular Weight:
247.2466
IUPAC Name:
5-acetyl-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one
InChI:
InChI=1S/C13H13NO4/c1-8(15)13(2)12(16)14-11(18-13)9-4-6-10(17-3)7-5-9/h4-7H,1-3H3
InChI Key:
MLCDCEYVXVYODO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1=NC(=O)C(O1)(C)C(=O)C
NSC Number:
115816
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.25g/mol
Monoisotopic Mass:
247.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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