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88798-28-1 | Propanedioic acid, 2-thienyl-, diethyl ester
CAS No: 88798-28-1 Catalog No: AG004ARO MDL No:
Product Description
Catalog Number:
AG004ARO
Chemical Name:
Propanedioic acid, 2-thienyl-, diethyl ester
CAS Number:
88798-28-1
Molecular Formula:
C11H14O4S
Molecular Weight:
242.2915
IUPAC Name:
diethyl 2-thiophen-2-ylpropanedioate
InChI:
InChI=1S/C11H14O4S/c1-3-14-10(12)9(11(13)15-4-2)8-6-5-7-16-8/h5-7,9H,3-4H2,1-2H3
InChI Key:
QWLWTXHDWKWZFB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1cccs1)C(=O)OCC
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.061g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.289g/mol
Monoisotopic Mass:
242.061g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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