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88051-03-0 | 2(1H)-Quinoxalinone, 3-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethenyl]-
CAS No: 88051-03-0 Catalog No: AG004M19 MDL No:
Product Description
Catalog Number:
AG004M19
Chemical Name:
2(1H)-Quinoxalinone, 3-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethenyl]-
CAS Number:
88051-03-0
Molecular Formula:
C17H12N2O4
Molecular Weight:
308.2882
IUPAC Name:
3-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethenyl]-1H-quinoxalin-2-one
InChI:
InChI=1S/C17H12N2O4/c20-14(10-5-6-15-16(7-10)23-9-22-15)8-13-17(21)19-12-4-2-1-3-11(12)18-13/h1-8,20H,9H2,(H,19,21)
InChI Key:
MVZYFZDBWNUSJN-UHFFFAOYSA-N
SMILES:
OC(=Cc1nc2ccccc2[nH]c1=O)c1ccc2c(c1)OCO2
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.08g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
308.293g/mol
Monoisotopic Mass:
308.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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