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250375-44-1 | Ethyl (3-methyl-2-thenoyl)acetate
CAS No: 250375-44-1 Catalog No: AG01FEIF MDL No:
Product Description
Catalog Number:
AG01FEIF
Chemical Name:
Ethyl (3-methyl-2-thenoyl)acetate
CAS Number:
250375-44-1
Molecular Formula:
C10H12O3S
Molecular Weight:
212.2655
IUPAC Name:
ethyl 3-(3-methylthiophen-2-yl)-3-oxopropanoate
InChI:
InChI=1S/C10H12O3S/c1-3-13-9(12)6-8(11)10-7(2)4-5-14-10/h4-5H,3,6H2,1-2H3
InChI Key:
RPOKHNGHPOPWNJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1sccc1C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.263g/mol
Monoisotopic Mass:
212.051g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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