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89071-71-6 | 2(3H)-Benzoxazolone, 7-(1-methylethyl)-
CAS No: 89071-71-6 Catalog No: AG0040OK MDL No:
Product Description
Catalog Number:
AG0040OK
Chemical Name:
2(3H)-Benzoxazolone, 7-(1-methylethyl)-
CAS Number:
89071-71-6
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
IUPAC Name:
7-propan-2-yl-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C10H11NO2/c1-6(2)7-4-3-5-8-9(7)13-10(12)11-8/h3-6H,1-2H3,(H,11,12)
InChI Key:
HWXUONVDCCADCG-UHFFFAOYSA-N
SMILES:
CC(c1cccc2c1oc(=O)[nH]2)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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