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140623-45-6 | 2(3H)-Benzoxazolone, 3-methyl-6-(3-pyridinylcarbonyl)-
CAS No: 140623-45-6 Catalog No: AG001CKZ MDL No:
Product Description
Catalog Number:
AG001CKZ
Chemical Name:
2(3H)-Benzoxazolone, 3-methyl-6-(3-pyridinylcarbonyl)-
CAS Number:
140623-45-6
Molecular Formula:
C14H10N2O3
Molecular Weight:
254.2408
IUPAC Name:
3-methyl-6-(pyridine-3-carbonyl)-1,3-benzoxazol-2-one
InChI:
InChI=1S/C14H10N2O3/c1-16-11-5-4-9(7-12(11)19-14(16)18)13(17)10-3-2-6-15-8-10/h2-8H,1H3
InChI Key:
IWWGBTICXMSSTP-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)oc(=O)n2C)c1cccnc1
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.245g/mol
Monoisotopic Mass:
254.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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