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

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

CAS No: 713-57-5 Catalog No: AG00359U MDL No:MFCD00496597

Product Description

Catalog Number:

AG00359U

Chemical Name:

4-(Ethoxycarbonyl)benzoic acid

CAS Number:

713-57-5

Molecular Formula:

C10H10O4

Molecular Weight:

194.1840

MDL Number:

MFCD00496597

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

SMILES:

CCOC(=O)c1ccc(cc1)C(=O)O

Properties

Complexity:

216

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

194.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

194.186g/mol

Monoisotopic Mass:

194.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Dirhodium paddlewheel with functionalized carboxylate bridges: new building block for self-assembly and immobilization on solid support.	Inorganic chemistry 20120416
Biodegradation of dimethyl terephthalate by Pasteurella multocida Sa follows an alternative biochemical pathway.	Ecotoxicology (London, England) 20060501