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861841-89-6 | 2(3H)-Benzoxazolone, 7-acetyl-5-(phenylmethoxy)-
CAS No: 861841-89-6 Catalog No: AG004SW8 MDL No:
Product Description
Catalog Number:
AG004SW8
Chemical Name:
2(3H)-Benzoxazolone, 7-acetyl-5-(phenylmethoxy)-
CAS Number:
861841-89-6
Molecular Formula:
C16H13NO4
Molecular Weight:
283.2787
IUPAC Name:
7-acetyl-5-phenylmethoxy-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C16H13NO4/c1-10(18)13-7-12(8-14-15(13)21-16(19)17-14)20-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,17,19)
InChI Key:
SDXZTTNODGPWNQ-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(OCc2ccccc2)cc2c1oc(=O)[nH]2
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.084g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.283g/mol
Monoisotopic Mass:
283.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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