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89590-22-7 | Benzooxazol-4-ol
CAS No: 89590-22-7 Catalog No: AG007J7M MDL No:MFCD06795900
Product Description
Catalog Number:
AG007J7M
Chemical Name:
Benzooxazol-4-ol
CAS Number:
89590-22-7
Molecular Formula:
C7H5NO2
Molecular Weight:
135.1201
MDL Number:
MFCD06795900
IUPAC Name:
1,3-benzoxazol-4-ol
InChI:
InChI=1S/C7H5NO2/c9-5-2-1-3-6-7(5)8-4-10-6/h1-4,9H
InChI Key:
MGQPBXGHGXFKJW-UHFFFAOYSA-N
SMILES:
Oc1cccc2c1nco2
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.032g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
135.122g/mol
Monoisotopic Mass:
135.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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