200,000+ products from a single source!
sales@angenechem.com
115240-91-0 | Benzenepropanoic acid, β-hydroxy-4-methyl-α-methylene-, methyl ester
CAS No: 115240-91-0 Catalog No: AG000GHS MDL No:
Product Description
Catalog Number:
AG000GHS
Chemical Name:
Benzenepropanoic acid, β-hydroxy-4-methyl-α-methylene-, methyl ester
CAS Number:
115240-91-0
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
methyl 2-[hydroxy-(4-methylphenyl)methyl]prop-2-enoate
InChI:
InChI=1S/C12H14O3/c1-8-4-6-10(7-5-8)11(13)9(2)12(14)15-3/h4-7,11,13H,2H2,1,3H3
InChI Key:
HCEAAUGYFOIOEH-UHFFFAOYSA-N
SMILES:
COC(=O)C(=C)C(c1ccc(cc1)C)O
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| High selective leishmanicidal activity of 3-hydroxy-2-methylene-3-(4-bromophenyl)propanenitrile and analogous compounds. | European journal of medicinal chemistry 20070101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.