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149652-25-5 | Propanedioic acid, 2-(4-methoxybenzoyl)-, 1,3-dimethyl ester
CAS No: 149652-25-5 Catalog No: AG001LW9 MDL No:
Product Description
Catalog Number:
AG001LW9
Chemical Name:
Propanedioic acid, 2-(4-methoxybenzoyl)-, 1,3-dimethyl ester
CAS Number:
149652-25-5
Molecular Formula:
C13H14O6
Molecular Weight:
266.2467
IUPAC Name:
dimethyl 2-(4-methoxybenzoyl)propanedioate
InChI:
InChI=1S/C13H14O6/c1-17-9-6-4-8(5-7-9)11(14)10(12(15)18-2)13(16)19-3/h4-7,10H,1-3H3
InChI Key:
WVZMTGIRUSJCRV-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)c1ccc(cc1)OC)C(=O)OC
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.249g/mol
Monoisotopic Mass:
266.079g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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