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2060007-62-5 | 4,5-dimethyl-1,2-benzoxazol-3-ol
CAS No: 2060007-62-5 Catalog No: AG01BW56 MDL No:MFCD30476788
Product Description
Catalog Number:
AG01BW56
Chemical Name:
4,5-dimethyl-1,2-benzoxazol-3-ol
CAS Number:
2060007-62-5
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD30476788
IUPAC Name:
4,5-dimethyl-1,2-benzoxazol-3-one
InChI:
InChI=1S/C9H9NO2/c1-5-3-4-7-8(6(5)2)9(11)10-12-7/h3-4H,1-2H3,(H,10,11)
InChI Key:
UYHSSPUNPLZJCL-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1C)c(O)no2
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:
1
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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