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13302-43-7 | 5(4H)-Oxazolone, 4-methyl-2-phenyl-
CAS No: 13302-43-7 Catalog No: AG0011JD MDL No:
Product Description
Catalog Number:
AG0011JD
Chemical Name:
5(4H)-Oxazolone, 4-methyl-2-phenyl-
CAS Number:
13302-43-7
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
IUPAC Name:
4-methyl-2-phenyl-4H-1,3-oxazol-5-one
InChI:
InChI=1S/C10H9NO2/c1-7-10(12)13-9(11-7)8-5-3-2-4-6-8/h2-7H,1H3
InChI Key:
HHPTWKXNGPGQJH-UHFFFAOYSA-N
SMILES:
CC1N=C(OC1=O)c1ccccc1
NSC Number:
669719
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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