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1934498-50-6 | 2-Oxo-decahydro-pyrido[2,3-b]pyrazine-7-carbonitrile
CAS No: 1934498-50-6 Catalog No: AG00I2Y6 MDL No:
Product Description
Catalog Number:
AG00I2Y6
Chemical Name:
2-Oxo-decahydro-pyrido[2,3-b]pyrazine-7-carbonitrile
CAS Number:
1934498-50-6
IUPAC Name:
2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-pyrido[2,3-b]pyrazine-7-carbonitrile
InChI:
InChI=1S/C8H12N4O/c9-2-5-1-6-8(10-3-5)11-4-7(13)12-6/h5-6,8,10-11H,1,3-4H2,(H,12,13)
InChI Key:
ITVHRSXWOJAGQY-UHFFFAOYSA-N
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.101g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
180.211g/mol
Monoisotopic Mass:
180.101g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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