AG00317Y

30762-06-2 | 4-(2-Phenylethoxy)benzoic acid

AG00317Y

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CAS Number	30762-06-2
Catalog Number	AG00317Y(AGN-PC-0JP6WH)
Chemical Name	4-(2-Phenylethoxy)benzoic acid
IUPAC Name	4-(2-phenylethoxy)benzoic acid
InChI	InChI=1S/C15H14O3/c16-15(17)13-6-8-14(9-7-13)18-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,16,17)
InChI Key	FRQLEOHJRISXFC-UHFFFAOYSA-N
MDL Number	MFCD06662497
Molecular Formula	C15H14O3
Molecular Weight	242.2699
NSC Number	138401
SMILES	O=C(O)C1=CC=C(OCCC2=CC=CC=C2)C=C1
Synonyms	4-(2-phenylethoxy)benzoic acid, 30762-06-2, 4-Phenethoxybenzoic acid, benzoic acid, 4-(2-phenylethoxy)-, AC1L5YUV, 4-phenethyloxybenzoic acid, AC1Q5US1, ARONIS010175, SCHEMBL4327125, CTK4G5876, KS-00000IKM, BBB/282, DTXSID10300700, Benzoic acid,4-(2-phenylethoxy)-, ALBB-009116, KS-000041LY, ZINC1609672, ZX-AH014942, ZX-AN008011, ZX-AS003521, ZX-CM005307, 9769AD, BBL014329, MFCD06662497, NSC138401, SBB049750, STK501100, AKOS000264105, DS-5256, MCULE-8370438674, NSC-138401, ABA-6997996, AJ-28214, AK118329, ST088287, BB0256794, TR-031369, BB 0256794, FT-0679470, Y-2392, AE-641/01612035, I01-13500, 4- BENZOICACID, 4-(phenethyloxy)benzoic acid, 4-(2-Phenylethoxy)-benzoic acid, C15H14O3, NSC94174, AR-1H9190, CID283540, ACN-052992, 30979-12-5,

Complexity	251
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.094g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	242.274g/mol
Monoisotopic Mass	242.094g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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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