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856811-67-1 | ETHYL 4-(3,4,5-TRIMETHOXYPHENYL)-4-OXOBUTANOATE
CAS No: 856811-67-1 Catalog No: AG004T57 MDL No:
Product Description
Catalog Number:
AG004T57
Chemical Name:
ETHYL 4-(3,4,5-TRIMETHOXYPHENYL)-4-OXOBUTANOATE
CAS Number:
856811-67-1
Molecular Formula:
C15H20O6
Molecular Weight:
296.3157
IUPAC Name:
ethyl 4-oxo-4-(3,4,5-trimethoxyphenyl)butanoate
InChI:
InChI=1S/C15H20O6/c1-5-21-14(17)7-6-11(16)10-8-12(18-2)15(20-4)13(9-10)19-3/h8-9H,5-7H2,1-4H3
InChI Key:
ZMBVKSUEKGYRDK-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)c1cc(OC)c(c(c1)OC)OC
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.319g/mol
Monoisotopic Mass:
296.126g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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