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66033-92-9 | 3-METHYL-1,2-BENZISOXAZOL-6-OL
CAS No: 66033-92-9 Catalog No: AG00FD8Q MDL No:MFCD00460585
Product Description
Catalog Number:
AG00FD8Q
Chemical Name:
3-METHYL-1,2-BENZISOXAZOL-6-OL
CAS Number:
66033-92-9
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
MDL Number:
MFCD00460585
IUPAC Name:
3-methyl-1,2-benzoxazol-6-ol
InChI:
InChI=1S/C8H7NO2/c1-5-7-3-2-6(10)4-8(7)11-9-5/h2-4,10H,1H3
InChI Key:
IZKYNZFXZSIBLH-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)onc2C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
149.149g/mol
Monoisotopic Mass:
149.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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