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90859-33-9 | 2(3H)-Benzoxazolone, 3,5,7-trimethyl-
CAS No: 90859-33-9 Catalog No: AG00H5XC MDL No:MFCD19374230
Product Description
Catalog Number:
AG00H5XC
Chemical Name:
2(3H)-Benzoxazolone, 3,5,7-trimethyl-
CAS Number:
90859-33-9
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD19374230
IUPAC Name:
3,5,7-trimethyl-1,3-benzoxazol-2-one
InChI:
InChI=1S/C10H11NO2/c1-6-4-7(2)9-8(5-6)11(3)10(12)13-9/h4-5H,1-3H3
InChI Key:
HXAQDUHCJNADPP-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1)n(C)c(=O)o2
Properties
Complexity:
229
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:
0
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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