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3-{2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}propanoic acid

3-{2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}propanoic acid

CAS: 18502-18-6

Formula: C11H12N2O2

SMILES: CC1=C(CCC(O)=O)C2=CC=CN=C2N1

IUPAC: 3-{2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}propanoic acid

InChI: InChI=1S/C11H12N2O2/c1-7-8(4-5-10(14)15)9-3-2-6-12-11(9)13-7/h2-3,6H,4-5H2,1H3,(H,12,13)(H,14,15)

Composition: C (64.69%), H (5.92%), N (13.72%), O (15.67%)

Molar Mass: 204.229

Atom Count: 27

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 204.089877634
Formal Charge 0
FSP3 0.27
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey ZHXHNDUVHOZKCW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56
Topological Polar Surface Area 65.98
Polarizability 21.77
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 18502-18-6 $155.25-$257.72$155.25$257.72
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Purity LeadTime CAS PacketSize UnitPrice
95% <8 Days 18502-18-6 $437.14-$6,294.86$437.14$1,311.43$2,098.29$3,934.29$6,294.86
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