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Home > Pyridines > 1803605-94-8
1803605-94-8 | 3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one dihydrochloride
CAS No: 1803605-94-8 Catalog No: AG01BDTQ MDL No:MFCD28063902
Product Description
Catalog Number:
AG01BDTQ
Chemical Name:
3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one dihydrochloride
CAS Number:
1803605-94-8
Molecular Formula:
C7H11Cl2N3O
Molecular Weight:
224.0877
MDL Number:
MFCD28063902
IUPAC Name:
5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride
InChI:
InChI=1S/C7H9N3O.2ClH/c11-7-5-1-2-8-3-6(5)9-4-10-7;;/h4,8H,1-3H2,(H,9,10,11);2*1H
InChI Key:
NXXJKAXMBKMOJW-UHFFFAOYSA-N
SMILES:
O=c1[nH]cnc2c1CCNC2.Cl.Cl
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.028g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
224.085g/mol
Monoisotopic Mass:
223.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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