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140934-87-8 | 2(3H)-Benzoxazolone, 6,6'-carbonylbis[3-methyl- (9CI)
CAS No: 140934-87-8 Catalog No: AG001FNS MDL No:
Product Description
Catalog Number:
AG001FNS
Chemical Name:
2(3H)-Benzoxazolone, 6,6'-carbonylbis[3-methyl- (9CI)
CAS Number:
140934-87-8
Molecular Formula:
C17H12N2O5
Molecular Weight:
324.2876
IUPAC Name:
3-methyl-6-(3-methyl-2-oxo-1,3-benzoxazole-6-carbonyl)-1,3-benzoxazol-2-one
InChI:
InChI=1S/C17H12N2O5/c1-18-11-5-3-9(7-13(11)23-16(18)21)15(20)10-4-6-12-14(8-10)24-17(22)19(12)2/h3-8H,1-2H3
InChI Key:
GZDOHPXNANJRDL-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)oc(=O)n2C)c1ccc2c(c1)oc(=O)n2C
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.075g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.292g/mol
Monoisotopic Mass:
324.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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