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51110-60-2 | 2-methyl-1,3-benzoxazol-4-ol
CAS No: 51110-60-2 Catalog No: AG01AG3C MDL No:MFCD16996153
Product Description
Catalog Number:
AG01AG3C
Chemical Name:
2-methyl-1,3-benzoxazol-4-ol
CAS Number:
51110-60-2
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
MDL Number:
MFCD16996153
IUPAC Name:
2-methyl-1,3-benzoxazol-4-ol
InChI:
InChI=1S/C8H7NO2/c1-5-9-8-6(10)3-2-4-7(8)11-5/h2-4,10H,1H3
InChI Key:
XIYDNMUWIWSMKX-UHFFFAOYSA-N
SMILES:
Cc1oc2c(n1)c(O)ccc2
NSC Number:
403536
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
Literature
| Title | Journal |
|---|---|
| 2-Methyl-1,3-benzoxazol-4-yl diphenyl-phosphinate. | Acta crystallographica. Section E, Structure reports online 20110201 |
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