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methyl 3-(aminomethyl)-1H-indole-5-carboxylate

methyl 3-(aminomethyl)-1H-indole-5-carboxylate

CAS: 887582-73-2

Formula: C11H12N2O2

SMILES: COC(=O)C1=CC=C2NC=C(CN)C2=C1

IUPAC: methyl 3-(aminomethyl)-1H-indole-5-carboxylate

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

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 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey QMPPDPIDWXPIPJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.64
Topological Polar Surface Area 68.11
Polarizability 23.32
Ring Count 2
Rotatable Bond Count 3

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95% <5 Days 887582-73-2 $800.00-$3,190.00$800.00$1,860.00$3,190.00
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