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388061-81-2 | 2(3H)-Benzoxazolone, 3-methyl-6-(4-methylbenzoyl)-
CAS No: 388061-81-2 Catalog No: AG00781Y MDL No:
Product Description
Catalog Number:
AG00781Y
Chemical Name:
2(3H)-Benzoxazolone, 3-methyl-6-(4-methylbenzoyl)-
CAS Number:
388061-81-2
Molecular Formula:
C16H13NO3
Molecular Weight:
267.2793
IUPAC Name:
3-methyl-6-(4-methylbenzoyl)-1,3-benzoxazol-2-one
InChI:
InChI=1S/C16H13NO3/c1-10-3-5-11(6-4-10)15(18)12-7-8-13-14(9-12)20-16(19)17(13)2/h3-9H,1-2H3
InChI Key:
XSNRYYAXAFONET-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)c1ccc2c(c1)oc(=O)n2C
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.284g/mol
Monoisotopic Mass:
267.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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