AG002QK4

2512-56-3 | Benzoic acid, 2-hydroxy-, 4-octylphenyl ester

AG002QK4

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CAS Number	2512-56-3
Catalog Number	AG002QK4(AGN-PC-0JS9BQ)
Chemical Name	Benzoic acid, 2-hydroxy-, 4-octylphenyl ester
IUPAC Name	(4-octylphenyl) 2-hydroxybenzoate
InChI	InChI=1S/C21H26O3/c1-2-3-4-5-6-7-10-17-13-15-18(16-14-17)24-21(23)19-11-8-9-12-20(19)22/h8-9,11-16,22H,2-7,10H2,1H3
InChI Key	VNFXPOAMRORRJJ-UHFFFAOYSA-N
MDL Number	MFCD00045760
Molecular Formula	C21H26O3
Molecular Weight	326.4293
SMILES	OC1=CC=CC=C1C(OC2=CC=C(CCCCCCCC)C=C2)=O
Synonyms	2512-56-3, 4-Octylphenyl Salicylate, Salicylic Acid 4-Octylphenyl Ester, 4-octylphenyl 2-hydroxybenzoate, Salicylic acid, p-octylphenyl ester, 4-octylphenylsalicylate, AC1LATVE, p-octylphenyl salicylate, ACMC-1CBLK, SCHEMBL78019, CTK4F5038, DTXSID80334274, (4-octylphenyl) 2-hydroxybenzoate, KS-000012EY, ZINC2507905, ANW-25629, MFCD00045760, AKOS015838941, DB-046633, TR-011502, FT-0634336, S0016, Benzoic acid,2-hydroxy-, 4-octylphenyl ester, C-50194, CID520185, Benzoic acid, 2-hydroxy-, 4-octylphenyl ester,

Complexity	347
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	326.188g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	326.436g/mol
Monoisotopic Mass	326.188g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.9

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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