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392669-41-9 | Benzoxazole, 6-methyl-,3-oxide
CAS No: 392669-41-9 Catalog No: AG0075WQ MDL No:
Product Description
Catalog Number:
AG0075WQ
Chemical Name:
Benzoxazole, 6-methyl-,3-oxide
CAS Number:
392669-41-9
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
IUPAC Name:
6-methyl-3-oxido-1,3-benzoxazol-3-ium
InChI:
InChI=1S/C8H7NO2/c1-6-2-3-7-8(4-6)11-5-9(7)10/h2-5H,1H3
InChI Key:
NFNVCSMSYKMQNA-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)oc[n+]2[O-]
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:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.149g/mol
Monoisotopic Mass:
149.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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