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26420-07-5 | 3-Thiophenebutanoic acid, ethyl ester
CAS No: 26420-07-5 Catalog No: AG002T4P MDL No:
Product Description
Catalog Number:
AG002T4P
Chemical Name:
3-Thiophenebutanoic acid, ethyl ester
CAS Number:
26420-07-5
Molecular Formula:
C10H14O2S
Molecular Weight:
198.2820
IUPAC Name:
ethyl 4-thiophen-3-ylbutanoate
InChI:
InChI=1S/C10H14O2S/c1-2-12-10(11)5-3-4-9-6-7-13-8-9/h6-8H,2-5H2,1H3
InChI Key:
QBTYPRSJJIFNHV-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCc1cscc1
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.071g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.28g/mol
Monoisotopic Mass:
198.071g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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