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6-methoxy-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid

6-methoxy-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid

CAS: 680208-62-2

Formula: C9H8N2O3

SMILES: COC1=C(C=C2C=CNC2=N1)C(O)=O

IUPAC: 6-methoxy-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid

InChI: InChI=1S/C9H8N2O3/c1-14-8-6(9(12)13)4-5-2-3-10-7(5)11-8/h2-4H,1H3,(H,10,11)(H,12,13)

Composition: C (56.25%), H (4.20%), N (14.58%), O (24.98%)

Molar Mass: 192.174

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 192.053492126
Formal Charge 0
FSP3 0.11
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey OFECBEHVWNGOTM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.97
Topological Polar Surface Area 75.21
Polarizability 18.87
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 680208-62-2 $172.76-$905.40$172.76$244.63$341.73$905.40
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