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88418-74-0 | 2-Thiophenecarboxylic acid, 2,5-dihydro-5-pentyl-, ethyl ester, cis-
CAS No: 88418-74-0 Catalog No: AG004HUI MDL No:
Product Description
Catalog Number:
AG004HUI
Chemical Name:
2-Thiophenecarboxylic acid, 2,5-dihydro-5-pentyl-, ethyl ester, cis-
CAS Number:
88418-74-0
Molecular Formula:
C12H20O2S
Molecular Weight:
228.3510
IUPAC Name:
ethyl 5-pentyl-2,5-dihydrothiophene-2-carboxylate
InChI:
InChI=1S/C12H20O2S/c1-3-5-6-7-10-8-9-11(15-10)12(13)14-4-2/h8-11H,3-7H2,1-2H3
InChI Key:
LVKNVIWRPOFYJR-UHFFFAOYSA-N
SMILES:
CCCCC[C@@H]1C=C[C@@H](S1)C(=O)OCC
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.118g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.35g/mol
Monoisotopic Mass:
228.118g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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