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88798-30-5 | Propanedioic acid, ethyl-2-thienyl-, diethyl ester
CAS No: 88798-30-5 Catalog No: AG004CT4 MDL No:
Product Description
Catalog Number:
AG004CT4
Chemical Name:
Propanedioic acid, ethyl-2-thienyl-, diethyl ester
CAS Number:
88798-30-5
Molecular Formula:
C13H18O4S
Molecular Weight:
270.3446
IUPAC Name:
diethyl 2-ethyl-2-thiophen-2-ylpropanedioate
InChI:
InChI=1S/C13H18O4S/c1-4-13(11(14)16-5-2,12(15)17-6-3)10-8-7-9-18-10/h7-9H,4-6H2,1-3H3
InChI Key:
JIAAOLSVHZOBLU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1cccs1)(C(=O)OCC)CC
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.343g/mol
Monoisotopic Mass:
270.093g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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