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Home Carboxys Thiophene-2,5-dicarboxylic acid mono tert butyl ester

Thiophene-2,5-dicarboxylic acid mono tert butyl ester

CAS No.:
503469-83-8
Catalog Number:
AG00I91C
Molecular Formula:
C10H12O4S
Molecular Weight:
228.2649
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$188
- +
1g
98%
In Stock USA
United States
$438
- +
Product Description
Catalog Number:
AG00I91C
Chemical Name:
Thiophene-2,5-dicarboxylic acid mono tert butyl ester
CAS Number:
503469-83-8
Molecular Formula:
C10H12O4S
Molecular Weight:
228.2649
MDL Number:
MFCD10688273
IUPAC Name:
5-[(2-methylpropan-2-yl)oxycarbonyl]thiophene-2-carboxylic acid
InChI:
InChI=1S/C10H12O4S/c1-10(2,3)14-9(13)7-5-4-6(15-7)8(11)12/h4-5H,1-3H3,(H,11,12)
InChI Key:
HSAOVIQXLLDARB-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(s1)C(=O)O)OC(C)(C)C
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.046g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.262g/mol
Monoisotopic Mass:
228.046g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties