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113922-35-3 | 2(3H)-Benzoxazolone, 3-(1-methyl-2-oxopropyl)-
CAS No: 113922-35-3 Catalog No: AG000A3D MDL No:
Product Description
Catalog Number:
AG000A3D
Chemical Name:
2(3H)-Benzoxazolone, 3-(1-methyl-2-oxopropyl)-
CAS Number:
113922-35-3
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
IUPAC Name:
3-(3-oxobutan-2-yl)-1,3-benzoxazol-2-one
InChI:
InChI=1S/C11H11NO3/c1-7(8(2)13)12-9-5-3-4-6-10(9)15-11(12)14/h3-7H,1-2H3
InChI Key:
PHPDXMMYKKSKEM-UHFFFAOYSA-N
SMILES:
CC(=O)C(n1c(=O)oc2c1cccc2)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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