200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1225553-37-6
1225553-37-6 | Benzenepropanoic acid, 2,5-dimethoxy-β-oxo-, methyl ester
CAS No: 1225553-37-6 Catalog No: AG0017FS MDL No:MFCD07778434
Product Description
Catalog Number:
AG0017FS
Chemical Name:
Benzenepropanoic acid, 2,5-dimethoxy-β-oxo-, methyl ester
CAS Number:
1225553-37-6
Molecular Formula:
C12H14O5
Molecular Weight:
238.2366
MDL Number:
MFCD07778434
IUPAC Name:
methyl 3-(2,5-dimethoxyphenyl)-3-oxopropanoate
InChI:
InChI=1S/C12H14O5/c1-15-8-4-5-11(16-2)9(6-8)10(13)7-12(14)17-3/h4-6H,7H2,1-3H3
InChI Key:
WLSWSBDPGZVKSB-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)c1cc(OC)ccc1OC
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.239g/mol
Monoisotopic Mass:
238.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.