AG00DIKX

5180-75-6 | 4-[(ethoxycarbonyl)amino]benzoic acid

AG00DIKX

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CAS Number	5180-75-6
Catalog Number	AG00DIKX(AGN-PC-0JTR8J)
Chemical Name	4-[(ethoxycarbonyl)amino]benzoic acid
IUPAC Name	4-(ethoxycarbonylamino)benzoic acid
InChI	InChI=1S/C10H11NO4/c1-2-15-10(14)11-8-5-3-7(4-6-8)9(12)13/h3-6H,2H2,1H3,(H,11,14)(H,12,13)
InChI Key	LRQYSIQVFJYQNK-UHFFFAOYSA-N
MDL Number	MFCD00610504
Molecular Formula	C10H11NO4
Molecular Weight	209.1986
SMILES	O=C(O)C1=CC=C(NC(OCC)=O)C=C1
Synonyms	4-((Ethoxycarbonyl)amino)benzoic acid, 5180-75-6, 4-[(Ethoxycarbonyl)amino]benzoic acid, 4-(ethoxycarbonylamino)benzoic acid, LRQYSIQVFJYQNK-UHFFFAOYSA-N, p-(Ethoxycarbonylamino)benzoic acid, AC1LD1V2, AC1Q35BE, Oprea1_740326, SCHEMBL10668920, CTK1H4839, DTXSID40346237, ZINC3208739, ANW-46500, MFCD00610504, AKOS002938053, MCULE-4911731506, 4-[(Ethoxycarbonyl)amino]benzoic acid #, Benzoicacid, 4-[(ethoxycarbonyl)amino]-, AJ-44765, Benzoic acid, 4-[(ethoxycarbonyl)amino]-, DB-032420, ST2405296, TC-135245, FT-0732179, W6664, EN300-14441, 4-[(ethoxycarbonyl)amino]benzoic acid, AldrichCPR, Z64432567, C10H11NO4, 4-((Ethoxycarbonyl)amino)benzoicacid, CID610598,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.069g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	209.201g/mol
Monoisotopic Mass	209.069g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
UN Code

Certificate of Analysis

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