AG003K45

3525-22-2 | 4-(4-METHOXYPHENOXY)BENZOIC ACID 97

AG003K45

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CAS Number	3525-22-2
Catalog Number	AG003K45(AGN-PC-0LMZO9)
Chemical Name	4-(4-METHOXYPHENOXY)BENZOIC ACID 97
IUPAC Name	4-(4-methoxyphenoxy)benzoic acid
InChI	InChI=1S/C14H12O4/c1-17-11-6-8-13(9-7-11)18-12-4-2-10(3-5-12)14(15)16/h2-9H,1H3,(H,15,16)
InChI Key	COMKNVCMWUGEPO-UHFFFAOYSA-N
MDL Number	MFCD02272298
Molecular Formula	C14H12O4
Molecular Weight	244.2427
SMILES	O=C(O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1
Synonyms	4-(4-Methoxyphenoxy)benzoic acid, 3525-22-2, ACMC-20amvt, AC1NOXWA, SCHEMBL2511835, CTK4H4037, DTXSID00408522, COMKNVCMWUGEPO-UHFFFAOYSA-N, ZX-AH030554, ZX-CM005404, 5459AH, BBL025744, Benzoic acid,4-(4-methoxyphenoxy)-, MFCD02272298, STL356460, ZINC11802360, AKOS000113525, IMED335523521, ACM3525222, MCULE-1012461720, 4-(4-Methoxyphenoxy)benzoic acid, 97%, AC-18583, AJ-60152, DA-06520, AX8090666, TC-169328, FT-0728230, W-9375, 4-(4-Methoxy-phenoxy)-benzoic acid, C14H12O4, CID5120819,

Complexity	263
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.074g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	244.246g/mol
Monoisotopic Mass	244.074g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H317-H400
Packing Group	Ⅲ
Precautionary statements	P273-P280
UN Code	UN 3077

Certificate of Analysis

Lot Number