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3649-42-1 | 5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-4-one
CAS No: 3649-42-1 Catalog No: AG01DHOI MDL No:MFCD18380603
Product Description
Catalog Number:
AG01DHOI
Chemical Name:
5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-4-one
CAS Number:
3649-42-1
Molecular Formula:
C7H9N3O
Molecular Weight:
151.1659
MDL Number:
MFCD18380603
IUPAC Name:
5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C7H9N3O/c11-7-5-2-1-3-8-6(5)9-4-10-7/h4H,1-3H2,(H2,8,9,10,11)
InChI Key:
YJIRCOHLVHBXAK-UHFFFAOYSA-N
SMILES:
O=c1nc[nH]c2c1CCCN2
NSC Number:
649162
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.075g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
151.169g/mol
Monoisotopic Mass:
151.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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