AG003KTU

6547-53-1 | 2-(4-(Benzyloxy)phenyl)acetic acid

AG003KTU

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CAS Number	6547-53-1
Catalog Number	AG003KTU(AGN-PC-0JLSZE)
Chemical Name	2-(4-(Benzyloxy)phenyl)acetic acid
EC Number	229-463-9
IUPAC Name	2-(4-phenylmethoxyphenyl)acetic acid
InChI	InChI=1S/C15H14O3/c16-15(17)10-12-6-8-14(9-7-12)18-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,16,17)
InChI Key	XJHGAJLIKDAOPE-UHFFFAOYSA-N
MDL Number	MFCD00017540
Molecular Formula	C15H14O3
Molecular Weight	242.2699
NSC Number	134561
SMILES	O=C(O)CC1=CC=C(OCC2=CC=CC=C2)C=C1
Synonyms	4-Benzyloxyphenylacetic acid, 6547-53-1, 2-(4-(benzyloxy)phenyl)acetic acid, [4-(benzyloxy)phenyl]acetic acid, 2-[4-(benzyloxy)phenyl]acetic acid, (4-Benzyloxy)phenylacetic acid, 4-Benzyloxyphenyl acetic acid, Benzeneacetic acid, 4-(phenylmethoxy)-, MFCD00017540, 4-Benzyloxy phenyl acetic acid, (4-Benzyloxy-phenyl)-acetic acid, XJHGAJLIKDAOPE-UHFFFAOYSA-N, 2-(4-phenylmethoxyphenyl)acetic acid, 2-(4-Phenylmethoxyphenyl)ethanoic Acid, (4-Benzyloxyphenyl)acetic acid, 99%, 2-[4-(phenylmethoxy)phenyl]acetic acid, EINECS 229-463-9, ACMC-209nqz, Maybridge3_005180, 3-Bromopyridine, 98+%, AC1L30GS, AC1Q5VM4, AC1Q74YI, AC1Q74YJ, Oprea1_761522, 4-benzyloxy-phenylacetic acid, (4-benzyloxyphenyl)acetic acid, 4-(benzyloxy)phenylacetic acid, 4-benzyloxy-phenyl-acetic acid, SCHEMBL1066614, 4-(Benzyloxy)benzeneacetic acid, (4-benzyloxy-phenyl)acetic acid, (4benzyloxy-phenyl)-acetic acid, CTK3J3308, ZINC81145, DTXSID80215791, (4-benzyloxy-phenyl) acetic acid, HMS1445L10, [4-(benzyloxy)-phenyl]acetic acid, ACT03855, EBD34931, ANW-35049, BBL021885, KM0930, NSC134561, SBB052772, STK894602, (4-Benzyloxy)phenylacetic acid, 98%, AKOS000210587, 2-[4-(Benzyl-Oxy)Phenyl]Acetic Acid, CB-2295, MCULE-7978606498, NSC-134561, PS-7559, RTR-022283, IDI1_016567, KS-0000111E, AJ-10545, AK161778, SC-16762, ST092361, SY014229, AB0030995, DB-054816, TR-022283, A8878, BB 0248997, FT-0604744, ST24039366, X3308, MFCD00017540 (95%), I14-7980, Z107273814, IO2, 4-BenzyloxyphenylaceticAcid, KST-1A7446, C15H14O3, CID81033, AR-1A9021, C15-H14-O3, B1779, 4-Benzyloxyphenylacetic acid, 98% - 1G 1g, 67879-60-1,

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	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319
Packing Group	\N
Precautionary statements	P305+P351+P338
UN Code	\N

Certificate of Analysis

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