AG002LP0

22960-16-3 | Isoquinoline-4-carbaldehyde

AG002LP0

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CAS Number	22960-16-3
Catalog Number	AG002LP0(AGN-PC-0NBXWZ)
Chemical Name	Isoquinoline-4-carbaldehyde
IUPAC Name	isoquinoline-4-carbaldehyde
InChI	InChI=1S/C10H7NO/c12-7-9-6-11-5-8-3-1-2-4-10(8)9/h1-7H
InChI Key	RNQQJLYJLDQGGL-UHFFFAOYSA-N
MDL Number	MFCD00829440
Molecular Formula	C10H7NO
Molecular Weight	157.1687
SMILES	O=CC1=CN=CC2=C1C=CC=C2
Synonyms	Isoquinoline-4-carbaldehyde, 22960-16-3, Isoquinoline-4-carboxaldehyde, 4-Formylisoquinoline, 4-Isoquinolinecarboxaldehyde, MFCD00829440, PubChem15962, ACMC-20aig4, 4-Isoquinolinecarbaldehyde, KSC201K4F, SCHEMBL1351597, Jsp004633, CTK1A1542, DTXSID10446531, RNQQJLYJLDQGGL-UHFFFAOYSA-N, 4-Isoquinolinecarboxaldehyde, 97%, ZINC2570382, ANW-74834, CI-231, SBB087204, AKOS013153142, AC-2842, CM10264, CS-W008375, MB01497, PS-5622, RP01943, RS-1026, TRA0101035, AJ-41848, AK-24096, AN-13580, BC679504, CJ-09895, SC-14677, SY003094, AB0027997, AB1001517, DB-046036, TC-069054, 4CH-021935, FT-0638273, ST24047454, W9923, A18485, Q-8721, MFCD00829440 (95+%), 960I163, I08-0507, W-206792, null, C10H7NO, CID10868870, Isoquinoline-4-carbaldehyde, 98% - 1G 1g, 4-Isoquinolinecarboxaldehyde (7CI,8CI,9CI),

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	157.053g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	157.172g/mol
Monoisotopic Mass	157.053g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	30A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number