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127443-93-0 | 2(1H)-Quinoxalinone, 3,4-dihydro-3-(2-oxobutylidene)-
CAS No: 127443-93-0 Catalog No: AG000X3M MDL No:
Product Description
Catalog Number:
AG000X3M
Chemical Name:
2(1H)-Quinoxalinone, 3,4-dihydro-3-(2-oxobutylidene)-
CAS Number:
127443-93-0
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
IUPAC Name:
3-(2-hydroxybut-1-enyl)-1H-quinoxalin-2-one
InChI:
InChI=1S/C12H12N2O2/c1-2-8(15)7-11-12(16)14-10-6-4-3-5-9(10)13-11/h3-7,15H,2H2,1H3,(H,14,16)
InChI Key:
DLCKZTJSNOLTMU-UHFFFAOYSA-N
SMILES:
CCC(=O)C=c1[nH]c2ccccc2[nH]c1=O
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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