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22876-16-0 | 6-METHYL-1,3-BENZOXAZOL-2(3H)-ONE
CAS No: 22876-16-0 Catalog No: AG00BIDC MDL No:MFCD02090051
Product Description
Catalog Number:
AG00BIDC
Chemical Name:
6-METHYL-1,3-BENZOXAZOL-2(3H)-ONE
CAS Number:
22876-16-0
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
MDL Number:
MFCD02090051
IUPAC Name:
6-methyl-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C8H7NO2/c1-5-2-3-6-7(4-5)11-8(10)9-6/h2-4H,1H3,(H,9,10)
InChI Key:
SAQACWOVZKNHSB-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)oc(=O)[nH]2
NSC Number:
280712
Properties
Complexity:
181
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:
1
Isotope Atom Count:
0
Molecular Weight:
149.149g/mol
Monoisotopic Mass:
149.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Synthesis and biological activities of some 1,3-benzoxazol-2(3H)-one derivatives as anti-quorum sensing agents. | Arzneimittel-Forschung 20120701 |
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