Ethyl 3-(Thiophen-3-yl)propanoate - CAS 99198-96-6
Catalog: |
BB066036 |
Product Name: |
Ethyl 3-(Thiophen-3-yl)propanoate |
CAS: |
99198-96-6 |
Synonyms: |
ETHYL 3-(THIOPHEN-3-YL)PROPANOATE; Ethyl 3-thiophen-3-ylpropanoate; Ethyl3-(thiophen-3-yl)propanoate; 3-Thiophenepropanoic acid, ethyl ester; Ethyl 3-(3-thienyl)propionoate |
IUPAC Name: | ethyl 3-thiophen-3-ylpropanoate |
Molecular Weight: | 184.26 |
Molecular Formula: | C9H12O2S |
Canonical SMILES: | CCOC(=O)CCC1=CSC=C1 |
InChI: | InChI=1S/C9H12O2S/c1-2-11-9(10)4-3-8-5-6-12-7-8/h5-7H,2-4H2,1H3 |
InChI Key: | XOBJEKYNLKUWMA-UHFFFAOYSA-N |
Complexity: | 148 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.05580079 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.05580079 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 54.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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