AG006CLO

91301-03-0 | 1,​2-​Dihydro-​2-​oxo-​3-​quinolinecarboxaldeh​yde

AG006CLO

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CAS Number	91301-03-0
Catalog Number	AG006CLO(AGN-PC-0WA71Z)
Chemical Name	1,​2-​Dihydro-​2-​oxo-​3-​quinolinecarboxaldeh​yde
IUPAC Name	2-oxo-1H-quinoline-3-carbaldehyde
InChI	InChI=1S/C10H7NO2/c12-6-8-5-7-3-1-2-4-9(7)11-10(8)13/h1-6H,(H,11,13)
InChI Key	VWHKEYXRRNSJTN-UHFFFAOYSA-N
MDL Number	MFCD00563443
Molecular Formula	C10H7NO2
Molecular Weight	173.1681
SMILES	O=Cc1cc2ccccc2[nH]c1=O
Synonyms	91301-03-0, 2-hydroxyquinoline-3-carbaldehyde, 2-Oxo-1,2-dihydro-quinoline-3-carbaldehyde, 2-Oxo-1,2-dihydro-3-quinolinecarbaldehyde, 2-oxo-1,2-dihydroquinoline-3-carbaldehyde, 2-oxo-1H-quinoline-3-carbaldehyde, 3-FORMYL-2QUINOLONE, 1,2-DIHYDRO-2-OXOQUINOLINE-3-CARBOXALDEHYDE, 1,2-dihydro-2-oxoquinoline-3-carbaldehyde, VWHKEYXRRNSJTN-UHFFFAOYSA-N, MFCD00563443, 2-HYDROXYQUINOLINE-3-CARBOXALDEHYDE, 2-oxohydroquinoline-3-carbaldehyde, 3-formylcarbostyril, quinolone-3-carbaldehyde, AC1LBUQ7, ACMC-209r8r, 2-hydroxy-3-formylquinoline, 3-formyl-2-hydroxyquinoline, Oprea1_039486, Oprea1_305229, SCHEMBL98219, oxodihydroquinolinecarbaldehyde, AC1Q79C2, CHEMBL3609843, CTK5G9292, CTK7H9107, KS-00001AIG, DTXSID30343371, 2-Hydroxy-quinoline-3-carbaldehyde, 2(1H)-Quinolinone-3-carboxaldehyde, 2-Hydroxy-3-quinolinecarbaldehyde #, ANW-39577, BBL028761, SBB005056, STK050769, STL381739, ZINC18077215, AKOS000270322, AKOS000320276, AB11914, CD-1131, MCULE-8384663192, NE12110, RP10588, AJ-70270, AM804540, BAS 16289193, BP-10827, 2-HYDROXY-3-QUINOLINECARBOXALDEHYDE, TC-128322, 2-oxo-1,2-dihydro-3-quinolinecarboxaldehyde, 2-oxo-1,2-dihydroquinoline-3-carboxaldehyde, FT-0648769, ST50179425, V8984, 2-Hydroxyquinoline-3-carbaldehyde, AldrichCPR, 3-Quinolinecarboxaldehyde,1,2-dihydro-2-oxo-, EN300-07553, 3-Quinolinecarboxaldehyde, 1,2-dihydro-2-oxo-, H-2008, H80071, W-7318, I08-936, J-510204, F0342-0036, 2-Cyanobenzaldehyde, C10H7NO2, CID589334, ZINC00233846, 2003-79-4,

Complexity	270
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.048g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	173.171g/mol
Monoisotopic Mass	173.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	46.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319-H315-H335
Packing Group
Precautionary statements	P305+P351+P338-P261-P280a-P304+P340-P405-P501a
UN Code

Certificate of Analysis

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