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4-methoxy-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine hydrochloride

4-methoxy-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine hydrochloride

CAS: 1187830-77-8

Formula: C8H12ClN3O

SMILES: Cl.COC1=NC=NC2=C1CCNC2

IUPAC: 4-methoxy-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine hydrochloride

InChI: InChI=1S/C8H11N3O.ClH/c1-12-8-6-2-3-9-4-7(6)10-5-11-8;/h5,9H,2-4H2,1H3;1H

Composition: C (47.65%), H (6.00%), Cl (17.58%), N (20.84%), O (7.93%)

Molar Mass: 201.65

Atom Count: 25

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 201.0668897
Formal Charge 0
FSP3 0.5
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey QDDZJQFJFPYUSQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.53
Topological Polar Surface Area 47.04
Polarizability 17.31
Ring Count 2
Rotatable Bond Count 1

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95% <5 Days 1187830-77-8 $105.92-$1,243.35$105.92$261.03$1,243.35
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