200,000+ products from a single source!
sales@angenechem.com
259543-68-5 | Benzeneacetic acid, α-formyl-4-(methylthio)-, ethyl ester
CAS No: 259543-68-5 Catalog No: AG002R6B MDL No:
Product Description
Catalog Number:
AG002R6B
Chemical Name:
Benzeneacetic acid, α-formyl-4-(methylthio)-, ethyl ester
CAS Number:
259543-68-5
Molecular Formula:
C12H14O3S
Molecular Weight:
238.3028
IUPAC Name:
ethyl 2-(4-methylsulfanylphenyl)-3-oxopropanoate
InChI:
InChI=1S/C12H14O3S/c1-3-15-12(14)11(8-13)9-4-6-10(16-2)7-5-9/h4-8,11H,3H2,1-2H3
InChI Key:
JYZAPKXPFIWNLQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccc(cc1)SC)C=O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.066g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.301g/mol
Monoisotopic Mass:
238.066g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.