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30313-06-5 | Propanedioic acid, 2-(2-thienylmethylene)-, 1,3-diethyl ester
CAS No: 30313-06-5 Catalog No: AG002ZO0 MDL No:
Product Description
Catalog Number:
AG002ZO0
Chemical Name:
Propanedioic acid, 2-(2-thienylmethylene)-, 1,3-diethyl ester
CAS Number:
30313-06-5
Molecular Formula:
C12H14O4S
Molecular Weight:
254.3022
IUPAC Name:
diethyl 2-(thiophen-2-ylmethylidene)propanedioate
InChI:
InChI=1S/C12H14O4S/c1-3-15-11(13)10(12(14)16-4-2)8-9-6-5-7-17-9/h5-8H,3-4H2,1-2H3
InChI Key:
OUBXLQPLVCNKNN-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=Cc1cccs1)C(=O)OCC
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.061g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.3g/mol
Monoisotopic Mass:
254.061g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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