Cas no 18189-42-9 (3-(ETHOXYCARBONYL)BENZOIC ACID)

3-(Ethoxycarbonyl)benzoic acid is an ester derivative of benzoic acid, commonly used as an intermediate in organic synthesis and pharmaceutical manufacturing. Its key advantages include high purity, stability, and reactivity, making it suitable for carboxylation and esterification reactions. The compound is valued for its consistent performance in producing fine chemicals and active pharmaceutical ingredients (APIs).

3-(ETHOXYCARBONYL)BENZOIC ACID structure

18189-42-9 structure

Product Name:3-(ETHOXYCARBONYL)BENZOIC ACID

CAS No:18189-42-9

MF:C₁₀H₁₀O₄

MW:194.184003353119

MDL:MFCD04113833

CID:890399

PubChem ID:816771

Update Time:2025-06-19

3-(ETHOXYCARBONYL)BENZOIC ACID Chemical and Physical Properties

Names and Identifiers

- 3-(ETHOXYCARBONYL)BENZOIC ACID
- 3-ethoxycarbonylbenzoate
- MDL： MFCD04113833
- Inchi： 1S/C10H10O4/c1-2-14-10(13)8-5-3-4-7(6-8)9(11)12/h3-6H,2H2,1H3,(H,11,12)
- InChI Key： HOPNITFHNCUXTG-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=CC=C(C(=O)O)C=1)=O

Computed Properties

Exact Mass: 194.0579
Monoisotopic Mass: 194.05790880g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 4
Heavy Atom Count: 14
Rotatable Bond Count: 4
Complexity: 224
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 2.2
Topological Polar Surface Area: 63.6?2

Experimental Properties

PSA: 63.6

3-(ETHOXYCARBONYL)BENZOIC ACID Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
Enamine	EN300-176855-1g	3-(ethoxycarbonyl)benzoic acid	18189-42-9	95%	1g	$546.0	2023-09-20
Enamine	EN300-176855-5g	3-(ethoxycarbonyl)benzoic acid	18189-42-9	95%	5g	$2266.0	2023-09-20
Enamine	EN300-176855-10g	3-(ethoxycarbonyl)benzoic acid	18189-42-9	95%	10g	$4423.0	2023-09-20
eNovation Chemicals LLC	D387590-250mg	3-(ethoxycarbonyl)benzoic acid	18189-42-9	95%	250mg	$455	2024-08-03
eNovation Chemicals LLC	D387590-1g	3-(ethoxycarbonyl)benzoic acid	18189-42-9	95%	1g	$575	2024-08-03
Enamine	EN300-176855-0.05g	3-(ethoxycarbonyl)benzoic acid	18189-42-9	95%	0.05g	$127.0	2023-09-20
Enamine	EN300-176855-0.1g	3-(ethoxycarbonyl)benzoic acid	18189-42-9	95%	0.1g	$189.0	2023-09-20
Enamine	EN300-176855-0.25g	3-(ethoxycarbonyl)benzoic acid	18189-42-9	95%	0.25g	$270.0	2023-09-20
Enamine	EN300-176855-0.5g	3-(ethoxycarbonyl)benzoic acid	18189-42-9	95%	0.5g	$426.0	2023-09-20
Enamine	EN300-176855-1.0g	3-(ethoxycarbonyl)benzoic acid	18189-42-9	95%	1g	$546.0	2023-06-03