2,3-dihydro-1H-isoindole-1-carboxylic acid hydrochloride

2,3-dihydro-1H-isoindole-1-carboxylic acid hydrochloride

CAS: 96016-96-5

Formula: C9H10ClNO2

SMILES: Cl.OC(=O)C1NCC2=CC=CC=C12

IUPAC: 2,3-dihydro-1H-isoindole-1-carboxylic acid hydrochloride

InChI: InChI=1/C9H9NO2.ClH/c11-9(12)8-7-4-2-1-3-6(7)5-10-8;/h1-4,8,10H,5H2,(H,11,12);1H

Composition: C (54.15%), H (5.05%), Cl (17.76%), N (7.02%), O (16.03%)

Molar Mass: 199.63

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	199.0400063
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	KPMLOVZNYPOQII-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.69
Topological Polar Surface Area	49.33
Polarizability	17.15
Ring Count	2
Rotatable Bond Count	1

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