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160984-79-2 | 2(3H)-Benzoxazolone, 5-[(2-methyl-2-propen-1-yl)oxy]-
CAS No: 160984-79-2 Catalog No: AG001VKA MDL No:
Product Description
Catalog Number:
AG001VKA
Chemical Name:
2(3H)-Benzoxazolone, 5-[(2-methyl-2-propen-1-yl)oxy]-
CAS Number:
160984-79-2
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
IUPAC Name:
5-(2-methylprop-2-enoxy)-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C11H11NO3/c1-7(2)6-14-8-3-4-10-9(5-8)12-11(13)15-10/h3-5H,1,6H2,2H3,(H,12,13)
InChI Key:
QTKMTUYHTCQBGG-UHFFFAOYSA-N
SMILES:
CC(=C)COc1ccc2c(c1)[nH]c(=O)o2
Properties
Complexity:
277
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:
1
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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