AG003TOL

54978-55-1 | Phenyl 1,4-Dihydroxy-2-naphthoate

AG003TOL

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CAS Number	54978-55-1
Catalog Number	AG003TOL(AGN-PC-0JTNAI)
Chemical Name	Phenyl 1,4-Dihydroxy-2-naphthoate
EC Number	259-419-4
IUPAC Name	phenyl 1,4-dihydroxynaphthalene-2-carboxylate
InChI	InChI=1S/C17H12O4/c18-15-10-14(16(19)13-9-5-4-8-12(13)15)17(20)21-11-6-2-1-3-7-11/h1-10,18-19H
InChI Key	XDUXGEPGVNWEBQ-UHFFFAOYSA-N
MDL Number	MFCD00075770
Molecular Formula	C17H12O4
Molecular Weight	280.2748
SMILES	Oc1c2c(c(cc1C(=O)Oc1ccccc1)O)cccc2
Synonyms	Phenyl 1,4-dihydroxy-2-naphthoate, 54978-55-1, phenyl 1,4-dihydroxynaphthalene-2-carboxylate, Phenyl1,4-dihydroxy-2-naphthoate, 1,4-Dihydroxy-2-naphtoic acid phenyl ester, 2-Naphthalenecarboxylic acid, 1,4-dihydroxy-, phenyl ester, Dihydroxynaphtoicacidphenylester, XDUXGEPGVNWEBQ-UHFFFAOYSA-N, 1,4-Dihydroxy-2-naphthoic Acid Phenyl Ester, J-503996, EINECS 259-419-4, ACMC-209lkl, AC1LCP9I, Oprea1_001204, SCHEMBL590944, DTXSID1074626, CTK5A2868, XDUXGEPGVNWEBQ-UHFFFAOYSA-, 1,4-dihydroxy-2-phenylnaphthoate, KS-000015QP, ZINC2149641, ANW-32227, BBL005500, MFCD00075770, STK379078, AKOS003602329, Phenyl 1,4-dihydroxy-2-naphthoate #, MCULE-1934384019, RL04063, VZ33630, AC-16676, AJ-33647, AN-40506, CC-33646, CJ-33076, 2-phenoxycarbonyl-1,4-dihydroxynaphthalene, AX8016567, DB-005470, TC-120972, TL8003600, D2297, FT-0600642, H2786, ST24031527, ST50841608, A830436, C-17626, phenyl 1,4-bis(oxidanyl)naphthalene-2-carboxylate, I14-8606, 1,4-dihydroxy-2-naphthalenecarboxylic acid phenyl ester, 2-Naphthalenecarboxylicacid, 1,4-dihydroxy-, phenyl ester, InChI=1/C17H12O4/c18-15-10-14(16(19)13-9-5-4-8-12(13)15)17(20)21-11-6-2-1-3-7-11/h1-10,18-19H, C17H12O4, CID604249, ZINC02149641, C17-H12-O4,

Complexity	364
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	280.074g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	280.279g/mol
Monoisotopic Mass	280.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

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