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methyl 1H,2H,3H,4H,9H-pyrido[3,4-b]indole-4-carboxylate

methyl 1H,2H,3H,4H,9H-pyrido[3,4-b]indole-4-carboxylate

CAS: 104580-74-7

Formula: C13H14N2O2

SMILES: COC(=O)C1CNCC2=C1C1=CC=CC=C1N2

IUPAC: methyl 1H,2H,3H,4H,9H-pyrido[3,4-b]indole-4-carboxylate

InChI: InChI=1/C13H14N2O2/c1-17-13(16)9-6-14-7-11-12(9)8-4-2-3-5-10(8)15-11/h2-5,9,14-15H,6-7H2,1H3

Composition: C (67.81%), H (6.13%), N (12.17%), O (13.90%)

Molar Mass: 230.267

Atom Count: 31

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 230.105527699
Formal Charge 0
FSP3 0.31
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey YOOXDTWCCSMAOZ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.43
Topological Polar Surface Area 54.12
Polarizability 26.3
Ring Count 3
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 104580-74-7 $1,460.00-$3,190.00$1,460.00$1,700.00$3,190.00
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