AG004PNV

87087-20-5 | 7-Isoquinolinecarboxaldehyde

AG004PNV

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CAS Number	87087-20-5
Catalog Number	AG004PNV(AGN-PC-02UQRV)
Chemical Name	7-Isoquinolinecarboxaldehyde
IUPAC Name	isoquinoline-7-carbaldehyde
InChI	InChI=1S/C10H7NO/c12-7-8-1-2-9-3-4-11-6-10(9)5-8/h1-7H
InChI Key	QEAGQILEKLFCEK-UHFFFAOYSA-N
MDL Number	MFCD06227439
Molecular Formula	C10H7NO
Molecular Weight	157.1687
SMILES	O=CC1=CC2=C(C=C1)C=CN=C2
Synonyms	7-Isoquinolinecarboxaldehyde, 87087-20-5, Isoquinoline-7-carbaldehyde, 7-Formylisoquinoline, 7-Isoquinolinecarboxaldehyde (6CI,9CI), SCHEMBL2006719, CTK3E6513, DTXSID90608256, ANW-48800, MFCD06227439, ZINC20441840, AKOS006292562, MB03744, RP01957, WT82500, AJ-77618, BR-67824, CJ-16747, DB-076834, TR-027147, FT-0745669, ST24029951, W8938, C-1651, J-521597, C10H7NO,

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	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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