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175278-05-4 | Benzoic acid, 3,5-dimethoxy-2-(1-oxopropyl)-, methyl ester
CAS No: 175278-05-4 Catalog No: AG0020TQ MDL No:MFCD00085118
Product Description
Catalog Number:
AG0020TQ
Chemical Name:
Benzoic acid, 3,5-dimethoxy-2-(1-oxopropyl)-, methyl ester
CAS Number:
175278-05-4
Molecular Formula:
C13H16O5
Molecular Weight:
252.2631
MDL Number:
MFCD00085118
IUPAC Name:
methyl 3,5-dimethoxy-2-propanoylbenzoate
InChI:
InChI=1S/C13H16O5/c1-5-10(14)12-9(13(15)18-4)6-8(16-2)7-11(12)17-3/h6-7H,5H2,1-4H3
InChI Key:
MOWOKJBINDKNSJ-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(c(c1)C(=O)OC)C(=O)CC
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.266g/mol
Monoisotopic Mass:
252.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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