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methyl 9H-pyrido[3,4-b]indole-1-carboxylate

methyl 9H-pyrido[3,4-b]indole-1-carboxylate

CAS: 3464-66-2

Formula: C13H10N2O2

SMILES: COC(=O)C1=NC=CC2=C1NC1=C2C=CC=C1

IUPAC: methyl 9H-pyrido[3,4-b]indole-1-carboxylate

InChI: InChI=1S/C13H10N2O2/c1-17-13(16)12-11-9(6-7-14-12)8-4-2-3-5-10(8)15-11/h2-7,15H,1H3

Composition: C (69.02%), H (4.46%), N (12.38%), O (14.14%)

Molar Mass: 226.235

Atom Count: 27

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 226.07422757
Formal Charge 0
FSP3 0.08
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey FRNCTTUBAHKEBZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.97
Topological Polar Surface Area 54.98
Polarizability 26.62
Ring Count 3
Rotatable Bond Count 2

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Wuhan ChemFaces Biochemical Co., Ltd
Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 3464-66-2 $241.92$241.92
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AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 3464-66-2 $642.85-$1,844.60$642.85$1,844.60
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