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101499-71-2 | Benzenepentanoic acid, 3,4-dimethoxy-δ-oxo-, ethyl ester
CAS No: 101499-71-2 Catalog No: AG0004MN MDL No:MFCD00666098
Product Description
Catalog Number:
AG0004MN
Chemical Name:
Benzenepentanoic acid, 3,4-dimethoxy-δ-oxo-, ethyl ester
CAS Number:
101499-71-2
Molecular Formula:
C15H20O5
Molecular Weight:
280.3163
MDL Number:
MFCD00666098
IUPAC Name:
ethyl 5-(3,4-dimethoxyphenyl)-5-oxopentanoate
InChI:
InChI=1S/C15H20O5/c1-4-20-15(17)7-5-6-12(16)11-8-9-13(18-2)14(10-11)19-3/h8-10H,4-7H2,1-3H3
InChI Key:
JGSWJILZJRDXFJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCC(=O)c1ccc(c(c1)OC)OC
NSC Number:
105644
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.32g/mol
Monoisotopic Mass:
280.131g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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