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Home > Pyridines > 904818-35-5
904818-35-5 | 3-(2-OXO-2-PYRIDIN-4-YL-ETHYLIDENE)-3,4-DIHYDRO-1H-QUINOXALIN-2-ONE
CAS No: 904818-35-5 Catalog No: AG00GVA2 MDL No:MFCD07371415
Product Description
Catalog Number:
AG00GVA2
Chemical Name:
3-(2-OXO-2-PYRIDIN-4-YL-ETHYLIDENE)-3,4-DIHYDRO-1H-QUINOXALIN-2-ONE
CAS Number:
904818-35-5
Molecular Formula:
C15H11N3O2
Molecular Weight:
265.2667
MDL Number:
MFCD07371415
IUPAC Name:
3-[(Z)-2-hydroxy-2-pyridin-4-ylethenyl]-1H-quinoxalin-2-one
InChI:
InChI=1S/C15H11N3O2/c19-14(10-5-7-16-8-6-10)9-13-15(20)18-12-4-2-1-3-11(12)17-13/h1-9,19H,(H,18,20)/b14-9-
InChI Key:
YDEWYIGUSAAAEV-ZROIWOOFSA-N
SMILES:
O=C(c1ccncc1)/C=c/1\[nH]c2ccccc2[nH]c1=O
NSC Number:
753839
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
265.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.272g/mol
Monoisotopic Mass:
265.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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