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2060039-61-2 | 5,6-dimethyl-1,2-benzoxazol-3-ol
CAS No: 2060039-61-2 Catalog No: AG01BW57 MDL No:MFCD30476789
Product Description
Catalog Number:
AG01BW57
Chemical Name:
5,6-dimethyl-1,2-benzoxazol-3-ol
CAS Number:
2060039-61-2
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD30476789
IUPAC Name:
5,6-dimethyl-1,2-benzoxazol-3-one
InChI:
InChI=1S/C9H9NO2/c1-5-3-7-8(4-6(5)2)12-10-9(7)11/h3-4H,1-2H3,(H,10,11)
InChI Key:
STCMGPOOVMHATC-UHFFFAOYSA-N
SMILES:
Cc1cc2onc(c2cc1C)O
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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