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180716-28-3 | 5-BENZOXAZOLOL
CAS No: 180716-28-3 Catalog No: AG00AVCY MDL No:MFCD11110248
Product Description
Catalog Number:
AG00AVCY
Chemical Name:
5-BENZOXAZOLOL
CAS Number:
180716-28-3
Molecular Formula:
C7H5NO2
Molecular Weight:
135.1201
MDL Number:
MFCD11110248
IUPAC Name:
1,3-benzoxazol-5-ol
InChI:
InChI=1S/C7H5NO2/c9-5-1-2-7-6(3-5)8-4-10-7/h1-4,9H
InChI Key:
UPPYOQWUJKAFSG-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)nco2
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:
1.2
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