AG00IAH7

59-06-3 | Benzoic acid, 4-(acetylamino)-2-ethoxy-, methyl ester

AG00IAH7

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CAS Number	59-06-3
Catalog Number	AG00IAH7(AGN-PC-0JK7G2)
Chemical Name	Benzoic acid, 4-(acetylamino)-2-ethoxy-, methyl ester
EC Number	200-414-3
IUPAC Name	methyl 4-acetamido-2-ethoxybenzoate
InChI	InChI=1S/C12H15NO4/c1-4-17-11-7-9(13-8(2)14)5-6-10(11)12(15)16-3/h5-7H,4H2,1-3H3,(H,13,14)
InChI Key	GOVWOKSKFSBNGD-UHFFFAOYSA-N
MDL Number	MFCD00075809
Molecular Formula	C12H15NO4
Molecular Weight	237.2518
SMILES	O=C(OC)C1=CC=C(NC(C)=O)C=C1OCC
UNII	F4X3L6068O
Synonyms	Ethopabate, ETHOPABATE, Methyl 4-acetamido-2-ethoxybenzoate, 59-06-3, Ethopabat, Benzoic acid, 4-(acetylamino)-2-ethoxy-, methyl ester, Ethyl Pabate, UNII-F4X3L6068O, Methyl 4-(acetylamino)-2-ethoxybenzoate, Amprol Plus (veterinary), EINECS 200-414-3, 4-Acetamido-2-ethoxybenzoesaeuremethylester, GOVWOKSKFSBNGD-UHFFFAOYSA-N, F4X3L6068O, Methyl 2-ethoxy-4-acetamidobenzoate, MFCD00075809, NCGC00160624-01, DSSTox_CID_26264, DSSTox_RID_81491, DSSTox_GSID_46264, Q-201078, CAS-59-06-3, Ethopabate [USP:BAN], Ethopabate [USAN:BAN], Ethopabate (USP), Ethopabate (125mg), AC1L1LNO, KSC496M0F, SCHEMBL540932, CHEMBL458769, ZINC1387, DTXSID6046264, CTK3J6602, HY-B2138, KS-00000YJ8, Tox21 111943, Tox21_111943, ANW-44496, Methyl 4-acetamido-2-ethoxy-benzoate, AKOS015892662, Tox21_111943_1, CCG-213430, CM12343, CS-8028, NCGC00160624-02, NCGC00160624-03, NCGC00160624-04, AJ-08011, AK-93466, AS-11898, CJ-00046, SY226309, AB0010964, AX8008677, DB-053312, LS-175976, RT-003113, ST2407234, FT-0625739, 4-Acetamido-2-ethoxybenzoic acid methyl ester, MFCD00075809 (95%), 4-acetamido-2-ethoxy-benzoic acid methyl ester, 4-acetylamino-2-ethoxybenzoic acid methyl ester, D08916, Ethopabate, VETRANAL(TM), analytical standard, M-1751, 4-Acetylamino-2-ethoxy-benzoic acid methyl ester, AB01563313_01, 075E809, 4-Acetylamino-2-ethoxy-benzoic acid, methyl ester, SR-01000944203, I04-0433, SR-01000944203-1, Ethopabate, British Pharmacopoeia (BP) Reference Standard, Ethopabate (4-Acetylamino-2-ethoxy-benzoic acid methyl ester), Ethopabate, United States Pharmacopeia (USP) Reference Standard, Mixture Name, Ethopabate [BAN], C12H15NO4, CID6034, Methyl4-acetamido-2-ethoxybenzoate, methyl-4-acetamido-2-ethoxybenzoat, C12-H15-N-O4, 4-(Acetylamino)-2-ethoxybenzoic acid methyl ester,

Complexity	280
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	237.1g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	237.255g/mol
Monoisotopic Mass	237.1g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	64.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H332-H335
Packing Group	\N
Precautionary statements	P280-P305+P351+P338-P310
Signal Words	warning
UN Code	\N

Certificate of Analysis

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