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(2S,3aR,7aR)-octahydro-1H-indole-2-carboxylic acid hydrochloride

(2S,3aR,7aR)-octahydro-1H-indole-2-carboxylic acid hydrochloride

CAS: 169061-41-0

Formula: C9H16ClNO2

SMILES: Cl.OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1

IUPAC: (2S,3aR,7aR)-octahydro-1H-indole-2-carboxylic acid hydrochloride

InChI: InChI=1S/C9H15NO2.ClH/c11-9(12)8-5-6-3-1-2-4-7(6)10-8;/h6-8,10H,1-5H2,(H,11,12);1H/t6-,7-,8+;/m1./s1

Composition: C (52.56%), H (7.84%), Cl (17.24%), N (6.81%), O (15.56%)

Molar Mass: 205.68

Atom Count: 29

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 3
Exact Mass 205.0869565
Formal Charge 0
FSP3 0.89
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey PONAUWFRJYNGAC-LRACWOHVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.28
Topological Polar Surface Area 49.33
Polarizability 17.9
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 169061-41-0 $316.25-$3,312.00$316.25$516.35$917.70$1,713.50$3,312.00$11,362.00
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