AG00359U

713-57-5 | 4-(Ethoxycarbonyl)benzoic acid

AG00359U

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CAS Number	713-57-5
Catalog Number	AG00359U(AGN-PC-0JPOKL)
Chemical Name	4-(Ethoxycarbonyl)benzoic acid
IUPAC Name	4-ethoxycarbonylbenzoic acid
InChI	InChI=1S/C10H10O4/c1-2-14-10(13)8-5-3-7(4-6-8)9(11)12/h3-6H,2H2,1H3,(H,11,12)
InChI Key	ADFVYWCDAKWKPH-UHFFFAOYSA-N
MDL Number	MFCD00496597
Molecular Formula	C10H10O4
Molecular Weight	194.1840
SMILES	CCOC(=O)c1ccc(cc1)C(=O)O
Synonyms	4-(ethoxycarbonyl)benzoic acid, 713-57-5, 4-ethoxycarbonylbenzoic acid, 1,4-Benzenedicarboxylic acid, monoethyl ester, Monoethyl 1,4-benzenedicarboxylate, monoethyl terephthalate, AC1L4VBY, ethyl hydrogen terephthalate, p-ethoxycarbonylbenzoic acid, AC1Q64HS, SCHEMBL27063, Terephthalic acid 1-ethyl ester, CTK5D3922, DTXSID20221457, ADFVYWCDAKWKPH-UHFFFAOYSA-N, KS-000001LK, ZINC3200307, BBL027013, MFCD00496597, STL365902, AKOS000375448, MCULE-4696317926, AK317280, DS-11487, CS-0061577, H1827, F8889-6491, Z1954802044, terephthalic acid monoethyl ester, AR-1F6978, CID164720, C10-H10-O4, 91454-65-8,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.058g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	194.186g/mol
Monoisotopic Mass	194.058g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number