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89332-62-7 | 2(3H)-Oxazolone, 3-(2,4,6-trimethylbenzoyl)-
CAS No: 89332-62-7 Catalog No: AG0086SF MDL No:
Product Description
Catalog Number:
AG0086SF
Chemical Name:
2(3H)-Oxazolone, 3-(2,4,6-trimethylbenzoyl)-
CAS Number:
89332-62-7
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
IUPAC Name:
3-(2,4,6-trimethylbenzoyl)-1,3-oxazol-2-one
InChI:
InChI=1S/C13H13NO3/c1-8-6-9(2)11(10(3)7-8)12(15)14-4-5-17-13(14)16/h4-7H,1-3H3
InChI Key:
BSCJQQRKIKVLNP-UHFFFAOYSA-N
SMILES:
O=C(n1ccoc1=O)c1c(C)cc(cc1C)C
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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