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922179-79-1 | Acetaldehyde, 2-(3,4-dihydro-3-oxo-2(1H)-pyrazinylidene)-, (2Z)-
CAS No: 922179-79-1 Catalog No: AG00620M MDL No:
Product Description
Catalog Number:
AG00620M
Chemical Name:
Acetaldehyde, 2-(3,4-dihydro-3-oxo-2(1H)-pyrazinylidene)-, (2Z)-
CAS Number:
922179-79-1
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
IUPAC Name:
3-(2-hydroxyethenyl)-1H-pyrazin-2-one
InChI:
InChI=1S/C6H6N2O2/c9-4-1-5-6(10)8-3-2-7-5/h1-4,9H,(H,8,10)
InChI Key:
IEDNZXCNJGVNHR-UHFFFAOYSA-N
SMILES:
O=c1[nH]cc[nH]/c/1=C\C=O
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
138.126g/mol
Monoisotopic Mass:
138.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.8
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