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26415-25-8 | Propanedioic acid, 2-(3-thienylmethyl)-, 1,3-diethyl ester
CAS No: 26415-25-8 Catalog No: AG002T4X MDL No:
Product Description
Catalog Number:
AG002T4X
Chemical Name:
Propanedioic acid, 2-(3-thienylmethyl)-, 1,3-diethyl ester
CAS Number:
26415-25-8
Molecular Formula:
C12H16O4S
Molecular Weight:
256.3180
IUPAC Name:
diethyl 2-(thiophen-3-ylmethyl)propanedioate
InChI:
InChI=1S/C12H16O4S/c1-3-15-11(13)10(12(14)16-4-2)7-9-5-6-17-8-9/h5-6,8,10H,3-4,7H2,1-2H3
InChI Key:
HBUKVVFZLYUSQA-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)Cc1cscc1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.316g/mol
Monoisotopic Mass:
256.077g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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