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115777-72-5 | 2,3-Thiophenedicarboxylic acid, 2-methyl ester
CAS No: 115777-72-5 Catalog No: AG000GUP MDL No:MFCD20640613
Product Description
Catalog Number:
AG000GUP
Chemical Name:
2,3-Thiophenedicarboxylic acid, 2-methyl ester
CAS Number:
115777-72-5
Molecular Formula:
C7H5O4S-
Molecular Weight:
185.1772
MDL Number:
MFCD20640613
IUPAC Name:
2-methoxycarbonylthiophene-3-carboxylic acid
InChI:
InChI=1S/C7H6O4S/c1-11-7(10)5-4(6(8)9)2-3-12-5/h2-3H,1H3,(H,8,9)
InChI Key:
XLKOQFSMGITOGW-UHFFFAOYSA-N
SMILES:
COC(=O)c1sccc1C(=O)[O-]
Properties
Complexity:
204
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:
1
Isotope Atom Count:
0
Molecular Weight:
186.181g/mol
Monoisotopic Mass:
185.999g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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