AG006TJF

96016-96-5 | 1H-Isoindole-1-carboxylic acid, 2,3-dihydro-, hydrochloride

AG006TJF

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CAS Number	96016-96-5
Catalog Number	AG006TJF(AGN-PC-00M7PJ)
Chemical Name	1H-Isoindole-1-carboxylic acid, 2,3-dihydro-, hydrochloride
IUPAC Name	2,3-dihydro-1H-isoindole-1-carboxylic acid;hydrochloride
InChI	InChI=1S/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
InChI Key	KPMLOVZNYPOQII-UHFFFAOYSA-N
MDL Number	MFCD11506100
Molecular Formula	C9H10ClNO2
Molecular Weight	199.6342
SMILES	OC(=O)C1NCc2c1cccc2.Cl
Synonyms	96016-96-5, Isoindoline-1-carboxylic acid hydrochloride, 2,3-DIHYDRO-1H-ISOINDOLE-1-CARBOXYLIC ACID HYDROCHLORIDE, 1H-Isoindole-1-carboxylic acid, 2,3-dihydro-, hydrochloride, ACMC-20m0ht, SCHEMBL16992064, CTK3F3078, DTXSID90538862, KPMLOVZNYPOQII-UHFFFAOYSA-N, Isoindoline-1-carboxylic acid HCl, 1356AJ, MFCD11506100, AKOS015950755, AK550278, AK550292, AB1004337, EN300-159939, Z-5338, 1,3-Dihydro-2H-isoindole-1-carboxylic acid, hydrochloride, 2,3-Dihydro-1H-isoindole-1-carboxylic acid--hydrogen chloride (1/1), null, C9H9NO2.HCl, (R)-isoindoline-1-carboxylic acid hydrochloride, (S)-isoindoline-1-carboxylic acid hydrochloride, 1965314-61-7, 1965314-73-1,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.04g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	199.634g/mol
Monoisotopic Mass	199.04g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	49.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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