200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 113396-49-9
113396-49-9 | 2-Propenoic acid, 3-[[(4-methylphenyl)sulfinyl]oxy]-, ethyl ester, (E)- (9CI)
CAS No: 113396-49-9 Catalog No: AG0008F4 MDL No:
Product Description
Catalog Number:
AG0008F4
Chemical Name:
2-Propenoic acid, 3-[[(4-methylphenyl)sulfinyl]oxy]-, ethyl ester, (E)- (9CI)
CAS Number:
113396-49-9
Molecular Formula:
C12H14O4S
Molecular Weight:
254.3022
IUPAC Name:
ethyl 3-(4-methylphenyl)sulfinyloxyprop-2-enoate
InChI:
InChI=1S/C12H14O4S/c1-3-15-12(13)8-9-16-17(14)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3
InChI Key:
ZKABAGQACMCZSI-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C/OS(=O)c1ccc(cc1)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.061g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.3g/mol
Monoisotopic Mass:
254.061g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.