AG001QCE

15861-37-7 | 1H-Indole-6-carboxylic acid, 2,3-dihydro-, hydrochloride (1:1)

AG001QCE

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CAS Number	15861-37-7
Catalog Number	AG001QCE(AGN-PC-09RR0Y)
Chemical Name	1H-Indole-6-carboxylic acid, 2,3-dihydro-, hydrochloride (1:1)
IUPAC Name	2,3-dihydro-1H-indole-6-carboxylic acid;hydrochloride
InChI	InChI=1S/C9H9NO2.ClH/c11-9(12)7-2-1-6-3-4-10-8(6)5-7;/h1-2,5,10H,3-4H2,(H,11,12);1H
InChI Key	GAPSTRMYKHJESC-UHFFFAOYSA-N
MDL Number	MFCD09878906
Molecular Formula	C9H10ClNO2
Molecular Weight	199.6342
SMILES	O=C(C1=CC2=C(C=C1)CCN2)O.[H]Cl
Synonyms	Indoline-6-carboxylic acid hydrochloride, 15861-37-7, 2,3-DIHYDRO-1H-INDOLE-6-CARBOXYLIC ACID HYDROCHLORIDE, AK158391, 4905AH, MFCD09878906, AKOS024262462, AX8292186, DB-064234, FT-0741368, Z-6019, J-009514, F1907-0008, 1H-Indole-6-carboxylic acid, 2,3-dihydro-, hydrochloride (1:1), C9H9NO2.HCl,

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	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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