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1209597-83-0 | 5,6,7,8-Tetrahydropyrido[3,4-d]pyrimidin-4(4aH);-one hydrochloride
CAS No: 1209597-83-0 Catalog No: AG00HFU1 MDL No:
Product Description
Catalog Number:
AG00HFU1
Chemical Name:
5,6,7,8-Tetrahydropyrido[3,4-d]pyrimidin-4(4aH);-one hydrochloride
CAS Number:
1209597-83-0
Molecular Formula:
C7H10ClN3O
Molecular Weight:
187.6268
IUPAC Name:
5,6,7,8-tetrahydro-4aH-pyrido[3,4-d]pyrimidin-4-one;hydrochloride
InChI:
InChI=1S/C7H9N3O.ClH/c11-7-5-1-2-8-3-6(5)9-4-10-7;/h4-5,8H,1-3H2;1H
InChI Key:
IUHFTZQIEBLPIK-UHFFFAOYSA-N
SMILES:
O=C1N=CN=C2C1CCNC2.Cl
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.627g/mol
Monoisotopic Mass:
187.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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