AG00DHUX

4770-39-2 | 5-Methoxyindoline, HCl

AG00DHUX

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CAS Number	4770-39-2
Catalog Number	AG00DHUX(AGN-PC-0WABIP)
Chemical Name	5-Methoxyindoline, HCl
IUPAC Name	5-methoxy-2,3-dihydro-1H-indole;hydrochloride
InChI	InChI=1S/C9H11NO.ClH/c1-11-8-2-3-9-7(6-8)4-5-10-9;/h2-3,6,10H,4-5H2,1H3;1H
InChI Key	ZWPCYRLOZJUXAK-UHFFFAOYSA-N
MDL Number	MFCD07783777
Molecular Formula	C9H12ClNO
Molecular Weight	185.6507
SMILES	COC1=CC2=C(NCC2)C=C1.[H]Cl
Synonyms	5-Methoxyindoline hydrochloride, 4770-39-2, 5-Methoxyindoline HCl, AK133069, 5-Methoxy-2,3-dihydro-1H-indole hydrochloride, 5-Methoxyindoline, HCl, CTK7A8300, DTXSID70601861, MFCD07783777, AKOS015961857, ACM4770392, DS-2965, KS-000024Q3, Q804, AB0017815, AX8254455, ST2418811, 4CH-012491, CS-0019194, M-2503, 5-Methoxy-2,3-dihydro-1H-indole--hydrogen chloride (1/1), C9H12ClNO, 5-Methoxyindolinehydrochloride,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.061g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	185.651g/mol
Monoisotopic Mass	185.061g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	21.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number