AG006ADJ

90806-58-9 | 5-Methoxyisoquinoline

AG006ADJ

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WARNING This product is not for human or veterinary use.

CAS Number	90806-58-9
Catalog Number	AG006ADJ(AGN-PC-00NUM9)
Chemical Name	5-Methoxyisoquinoline
IUPAC Name	5-methoxyisoquinoline
InChI	InChI=1S/C10H9NO/c1-12-10-4-2-3-8-7-11-6-5-9(8)10/h2-7H,1H3
InChI Key	NRQNEMBSIAIKFB-UHFFFAOYSA-N
MDL Number	MFCD11846297
Molecular Formula	C10H9NO
Molecular Weight	159.1846
SMILES	COC1=C2C(=CC=C1)C=NC=C2
Synonyms	5-Methoxyisoquinoline, 90806-58-9, 5-Methoxy-isoquinoline, Isoquinoline, 5-methoxy-, AK-39652, SCHEMBL96459, KSC493G7L, SCHEMBL12891976, CTK3J3375, DTXSID70548464, NRQNEMBSIAIKFB-UHFFFAOYSA-N, ACT10614, KS-00000I9O, ANW-50823, MFCD11846297, ZINC34143108, AKOS015852109, CS-W022404, FCH1152791, FS-3121, RP22268, RTC-061992, AJ-87148, AN-35044, BR-39652, CJ-18206, SC-70341, AB0027500, AX8165757, DB-029169, ST2412076, TC-061992, 4CH-009097, FT-0744920, W9338, A26439, S-4525, 806M589, J-517703, C10H9NO, ACN-S005142,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.068g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	159.188g/mol
Monoisotopic Mass	159.068g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	22.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number