AG003JDM

99469-99-5 | 3-Ethoxy-4-(ethoxycarbonyl)benzeneacetic acid

AG003JDM

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CAS Number	99469-99-5
Catalog Number	AG003JDM(AGN-PC-0MZANF)
Chemical Name	3-Ethoxy-4-(ethoxycarbonyl)benzeneacetic acid
IUPAC Name	2-(3-ethoxy-4-ethoxycarbonylphenyl)acetic acid
InChI	InChI=1S/C13H16O5/c1-3-17-11-7-9(8-12(14)15)5-6-10(11)13(16)18-4-2/h5-7H,3-4,8H2,1-2H3,(H,14,15)
InChI Key	OTGSESBEJUHCES-UHFFFAOYSA-N
MDL Number	MFCD08704233
Molecular Formula	C13H16O5
Molecular Weight	252.2631
SMILES	C(C)OC=1C=C(C=CC1C(=O)OCC)CC(=O)O
UNII	GG6C71LIOD
Synonyms	99469-99-5, 2-(3-Ethoxy-4-(ethoxycarbonyl)phenyl)acetic acid, 3-Ethoxy-4-ethoxycarbonyl phenylacetic acid, 3-Ethoxy-4-(ethoxycarbonyl)phenylacetic acid, 3-Ethoxy-4-ethoxycarbonylphenylacetic acid, UNII-GG6C71LIOD, 4-Ethoxycarbonyl-3-ethoxyphenylacetic acid, Ethyl 4-carboxymethyl-2-ethoxybenzoate, Benzeneacetic acid, 3-ethoxy-4-(ethoxycarbonyl)-, [3-ethoxy-4-(ethoxycarbonyl)phenyl]acetic acid, GG6C71LIOD, 2-(3-Ethoxy-4-ethoxycarbonylphenyl)acetic Acid, AK-37015, Ethyl 4-(carboxymethyl)-2-ethoxybenzoate, 3-Ethoxy-4-ethoxycarbonyl-phenyl acetic acid, (3-Ethoxy-4-(ethoxycarbonyl)phenyl)acetic acid, Q-101330, 2-[3-ethoxy-4-(ethoxycarbonyl)phenyl]acetic acid, Repaglinide related compound B, MFCD08704233, Repaglinide related compound B [USP], ethyl 2-ethoxy-4-carboxymethylbenzoate, Repaglinide specified impurity B [EP], PubChem13653, Repaglinide related compound B RS [USP], ACMC-209scr, EC 427-630-2, 2-(3-ethoxy-4-ethoxycarbonyl-phenyl)acetic Acid, 4-Carboxymethyl-2-ethoxybenzoic Acid Ethyl Ester, KSC496G2B, SCHEMBL391346, 3-ETHOXY-4-(ETHOXYCARBONYL)BENZENEACETIC ACID, CTK3J6320, DTXSID80244066, OTGSESBEJUHCES-UHFFFAOYSA-N, ACT00935, BCP22607, ZX-AT005478, ANW-41017, CE-008, STL452955, ZINC15021196, AKOS015919544, AS04412, OR13687, PS-7455, QC-8973, RP18131, TRA0005702, 4-Ethoxycaybonyl-3-ethoxyphenyiaceticacid, 112GI005, 4-Ethoxycabonyl-3-ethoxyphenylacetic acid, AJ-66888, AN-14268, BR-37015, H326, SC-22929, SY018590, 3-ethoxy-4-ethoxycarbonyl-phenylacetic acid, AB0012984, AB1004888, AX8008167, RT-002950, ST2403891, 3-ethoxy-4-ethoxycarbonyl phenyl acetic acid, 3-ethoxy-4-ethoxycarbonyl-phenyl-acetic acid, 4-(Ethoxycarbonyl)-3-ethoxyphenylacetic acid, AM20090698, E0928, FT-0649265, 3-ethoxy-4-(ethoxycarbonyl)phenyl acetic acid, A24998, M-1579, 3-Ethoxy-4-(ethoxy carbonyl)-phenyl acetic acid, MFCD08704233 (97+%), 4-carboxymethyl-2-ethoxy-benzoic acid ethyl ester, 469E995, C-24446, 2-[(4-Ethoxycarbonyl)-3-ethoxyphenyl] acetic acid, 3-ethoxy-4-ethoxycarbonyl phenylacetic acid;4-Ehtoxycarbonyl-3-Ehtoxyphynylacetic Acid, 3-Ethoxy-4-ethoxycarbonyl phenylacetic acid; 2-(4-(ethoxycarbonyl)-3-ethoxyphenyl)acetic acid; 4-Ehtoxycarbonyl-3-ehtoxyphynylacetic Acid; Ethyl 4-(carboxymethyl)-2-ethoxybenzoate, C13H16O5, ACN-026819, CID10131212, 3-Ethoxy-4-ethoxycarbonylphenylaceticacid, 2-(4-(ethoxycarbonyl)-3-ethoxyphenyl)acetic acid,

Complexity	289
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	252.1g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	252.266g/mol
Monoisotopic Mass	252.1g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	72.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H318
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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