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Home Other Building Blocks 3-Thiophenemalonic acid

3-Thiophenemalonic acid

CAS No.:
21080-92-2
Catalog Number:
AG002KZL
Molecular Formula:
C7H6O4S
Molecular Weight:
186.1851
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$19
- +
25g
97%
In Stock USA
United States
$62
- +
100g
97%
In Stock USA
United States
$188
- +
500g
97%
In Stock USA
United States
$688
- +
Product Description
Catalog Number:
AG002KZL
Chemical Name:
3-Thiophenemalonic acid
CAS Number:
21080-92-2
Molecular Formula:
C7H6O4S
Molecular Weight:
186.1851
MDL Number:
MFCD00005469
IUPAC Name:
2-thiophen-3-ylpropanedioic acid
InChI:
InChI=1S/C7H6O4S/c8-6(9)5(7(10)11)4-1-2-12-3-4/h1-3,5H,(H,8,9)(H,10,11)
InChI Key:
GCOOGCQWQFRJEK-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1cscc1)C(=O)O
EC Number:
244-198-9
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.999g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
186.181g/mol
Monoisotopic Mass:
185.999g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Poly(2-thiophen-3-yl-malonic acid), a polythiophene with two carboxylic acids per repeating unit. The journal of physical chemistry. B 20100520
Aqua-(2,2'-bipyridine-κN,N')[2-(3-thien-yl)malonato-κO,O']zinc(II) dihydrate. Acta crystallographica. Section E, Structure reports online 20091201
catena-Poly[[trimethyl-tin(IV)]-μ-2-(3-thien-yl)acetato]. Acta crystallographica. Section E, Structure reports online 20090101
Di-μ-hydroxido-bis-[aqua-trichlorido-tin(IV)] diethyl ether disolvate. Acta crystallographica. Section E, Structure reports online 20081101
Hydrogen-bonding interactions in 2-thiophen-3-ylmalonic acid. The journal of physical chemistry. A 20081023
μ-3-Thienylmalonato-κO:O-bis-[triphenyl-tin(IV)]. Acta crystallographica. Section E, Structure reports online 20081001
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Properties