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methyl 5H,6H,7H-pyrrolo[3,4-b]pyridine-3-carboxylate dihydrochloride

methyl 5H,6H,7H-pyrrolo[3,4-b]pyridine-3-carboxylate dihydrochloride

CAS: 1965310-13-7

Formula: C9H12Cl2N2O2

SMILES: Cl.Cl.COC(=O)C1=CN=C2CNCC2=C1

IUPAC: methyl 5H,6H,7H-pyrrolo[3,4-b]pyridine-3-carboxylate dihydrochloride

InChI: InChI=1S/C9H10N2O2.2ClH/c1-13-9(12)7-2-6-3-10-5-8(6)11-4-7;;/h2,4,10H,3,5H2,1H3;2*1H

Composition: C (43.05%), H (4.82%), Cl (28.23%), N (11.16%), O (12.74%)

Molar Mass: 251.11

Atom Count: 27

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 250.027583
Formal Charge 0
FSP3 0.33
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey VSGDECFXPZZCCK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.21
Topological Polar Surface Area 51.22
Polarizability 18.34
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 1965310-13-7 $221.95-$5,612.00$221.95$327.75$540.50$966.00$1,587.00$5,612.00
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