200,000+ products from a single source!
sales@angenechem.com
125369-26-8 | Benzenepropanoic acid, 4-(methoxycarbonyl)-α-oxo-, methyl ester
CAS No: 125369-26-8 Catalog No: AG000NJJ MDL No:
Product Description
Catalog Number:
AG000NJJ
Chemical Name:
Benzenepropanoic acid, 4-(methoxycarbonyl)-α-oxo-, methyl ester
CAS Number:
125369-26-8
Molecular Formula:
C12H12O5
Molecular Weight:
236.2207
IUPAC Name:
methyl 4-(3-methoxy-3-oxopropanoyl)benzoate
InChI:
InChI=1S/C12H12O5/c1-16-11(14)7-10(13)8-3-5-9(6-4-8)12(15)17-2/h3-6H,7H2,1-2H3
InChI Key:
PAGMDUGVIOXELP-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)Cc1ccc(cc1)C(=O)OC
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.068g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.223g/mol
Monoisotopic Mass:
236.068g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.