AG00DBJ2

4602-83-9 | 6,7-Dihydroxy-3,4-dihydroisoquinoline

AG00DBJ2

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CAS Number	4602-83-9
Catalog Number	AG00DBJ2(AGN-PC-0OAJ2X)
Chemical Name	6,7-Dihydroxy-3,4-dihydroisoquinoline
IUPAC Name	3,4-dihydroisoquinoline-6,7-diol
InChI	InChI=1S/C9H9NO2/c11-8-3-6-1-2-10-5-7(6)4-9(8)12/h3-5,11-12H,1-2H2
InChI Key	PWCQVMIYUGOTLG-UHFFFAOYSA-N
MDL Number	MFCD00143490
Molecular Formula	C9H9NO2
Molecular Weight	163.1733
SMILES	OC1=CC2=C(C=NCC2)C=C1O
Synonyms	6,7-dihydroxy-3,4-dihydroisoquinoline, 3,4-dihydroisoquinoline-6,7-diol, 4602-83-9, 6,7-DIHYDROXY-3,4-DIHYDROISOQUINOLINE, 6,7-Isoquinolinediol, 3,4-dihydro-, AC1NZZKF, SCHEMBL5190684, CTK1D8706, DTXSID90421366, ZINC4262164, ZX-AT025218, 6333AB, ANW-58159, MFCD00143490, SBB012360, AKOS016003118, ZINC100004199, ACM4602839, FCH1116038, MCULE-7256416174, RL03718, VQ10273, AJ-49861, AJ-49862, CC-22331, ST069288, SY047209, AB0090211, DB-051348, TC-146904, FT-0635370, ST24041155, 6,7-Dihydroxy-3,4-dihydroisoquinoline, 98%, 7-hydroxy-3,4-dihydro-2H-isoquinolin-6-one, MFCD00143490 (97%), C-04320, J-511196, I14-63312, C9H9NO2, ACN-S002396, ZINC04262164, CID5922170,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.063g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	163.176g/mol
Monoisotopic Mass	163.063g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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