AG003YNP

89781-52-2 | 8-Oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

AG003YNP

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CAS Number	89781-52-2
Catalog Number	AG003YNP(AGN-PC-002G3T)
Chemical Name	8-Oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
IUPAC Name	8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylic acid
InChI	InChI=1S/C11H10O3/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h4-6H,1-3H2,(H,13,14)
InChI Key	NZBNORDTBKGVQM-UHFFFAOYSA-N
MDL Number	MFCD00471460
Molecular Formula	C11H10O3
Molecular Weight	190.1953
SMILES	O=C1c2c(ccc(c2)C(=O)O)CCC1
Synonyms	89781-52-2, 8-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid, 8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylic acid, 8-Oxo-5,6,7,8-tetrahydro-naphthalene-2-carboxylic acid, 1-tetralon-7-carboxylic acid, AK172636, 8-oxo-5,6,7,8-tetrahydronaphth-2-oic acid, 2-Naphthalenecarboxylicacid, 5,6,7,8-tetrahydro-8-oxo-, ACMC-20ecbf, 7-carboxy-1-tetralone;, SCHEMBL552091, 2-tetralon-7-carboxylic acid;, AMOT0863, 5,6,7,8-tetrahydro-8-oxo-2-Naphthalenecarboxylic acid, CTK3E6990, DTXSID70563657, NZBNORDTBKGVQM-UHFFFAOYSA-N, BCP15198, ZINC9236903, 2400AF, CO-152, EBD872542, FCH830889, MFCD00471460, STK317918, AKOS000103523, CS-W007253, DS-8116, MCULE-6692874769, DA-01607, AX8111460, TR-028166, BB 0237495, FT-0678424, ST51039779, 8-oxo-5,6,7,8-tetrahydronaphth-2-oic acid;, O57075, Z-5396, 8-Oxo-5,6,7,8-tetrahydro-[2]naphthoesaeure;, 8-oxo-5,6,7,8-tetrahydro-[2]naphthoic acid;, 8-oxo-5,6,7-trihydronaphthalene-2-carboxylic acid, I04-5630, 8-Oxo-5,6,7,8-tetrahydronaphthalene- 2-carboxylic acid, 8-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;, C11H10O3, ACN-040974,

Complexity	259
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.063g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	190.198g/mol
Monoisotopic Mass	190.063g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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