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

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

CAS: 144540-75-0

Formula: C9H16ClNO2

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

IUPAC: (2S,3aR,7aS)-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-MWDCIYOWSA-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
80%	<5 Days	144540-75-0		$2,200.00-$5,250.00$2,200.00$2,640.00$5,250.00