AG007SRY

185989-39-3 | 2-Naphthalenecarboxylic acid, 3,5-dihydroxy-, methyl ester

AG007SRY

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CAS Number	185989-39-3
Catalog Number	AG007SRY(AGN-PC-00FBCY)
Chemical Name	2-Naphthalenecarboxylic acid, 3,5-dihydroxy-, methyl ester
IUPAC Name	methyl 3,5-dihydroxynaphthalene-2-carboxylate
InChI	InChI=1S/C12H10O4/c1-16-12(15)9-5-7-3-2-4-10(13)8(7)6-11(9)14/h2-6,13-14H,1H3
InChI Key	ARAZFUMSUAUJRS-UHFFFAOYSA-N
MDL Number	MFCD24713663
Molecular Formula	C12H10O4
Molecular Weight	218.2054
SMILES	COC(=O)c1cc2cccc(c2cc1O)O
Synonyms	Methyl 3,5-dihydroxy-2-naphthoate, 185989-39-3, Methyl 3,5-dihydroxynaphthalene-2-carboxylate, 2-Naphthalenecarboxylic acid, 3,5-dihydroxy-, methyl ester, CHEMBL145578, SCHEMBL2239095, CTK0E2297, DTXSID60471737, ARAZFUMSUAUJRS-UHFFFAOYSA-N, MFCD24713663, ZINC27527033, AKOS030628205, 3,5-Dihydroxy-2-naphthoic acid methyl ester, CID11746080,

Complexity	266
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.058g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	218.208g/mol
Monoisotopic Mass	218.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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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