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17280-80-7 | 2(3H)-Benzoxazolone, 3-(2-methyl-1-oxo-2-propenyl)-
CAS No: 17280-80-7 Catalog No: AG007VNX MDL No:
Product Description
Catalog Number:
AG007VNX
Chemical Name:
2(3H)-Benzoxazolone, 3-(2-methyl-1-oxo-2-propenyl)-
CAS Number:
17280-80-7
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
IUPAC Name:
3-(2-methylprop-2-enoyl)-1,3-benzoxazol-2-one
InChI:
InChI=1S/C11H9NO3/c1-7(2)10(13)12-8-5-3-4-6-9(8)15-11(12)14/h3-6H,1H2,2H3
InChI Key:
KZHQOKLRCJTUEC-UHFFFAOYSA-N
SMILES:
CC(=C)C(=O)n1c(=O)oc2c1cccc2
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.197g/mol
Monoisotopic Mass:
203.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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