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88882-28-4 | 2(3H)-Benzoxazolone, 3,5-dimethyl-
CAS No: 88882-28-4 Catalog No: AG0049JG MDL No:MFCD04362496
Product Description
Catalog Number:
AG0049JG
Chemical Name:
2(3H)-Benzoxazolone, 3,5-dimethyl-
CAS Number:
88882-28-4
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD04362496
IUPAC Name:
3,5-dimethyl-1,3-benzoxazol-2-one
InChI:
InChI=1S/C9H9NO2/c1-6-3-4-8-7(5-6)10(2)9(11)12-8/h3-5H,1-2H3
InChI Key:
DTGPFNICWVLWSJ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)n(C)c(=O)o2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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