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89071-74-9 | 2(3H)-Benzoxazolone, 5-(1,1-dimethylethyl)-7-methyl-
CAS No: 89071-74-9 Catalog No: AG0040YC MDL No:
Product Description
Catalog Number:
AG0040YC
Chemical Name:
2(3H)-Benzoxazolone, 5-(1,1-dimethylethyl)-7-methyl-
CAS Number:
89071-74-9
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
IUPAC Name:
5-tert-butyl-7-methyl-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C12H15NO2/c1-7-5-8(12(2,3)4)6-9-10(7)15-11(14)13-9/h5-6H,1-4H3,(H,13,14)
InChI Key:
ZICSVMGKQZWESJ-UHFFFAOYSA-N
SMILES:
CC(c1cc(C)c2c(c1)[nH]c(=O)o2)(C)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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