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898758-35-5 | ETHYL 7-(2,5-DIMETHOXYPHENYL)-7-OXOHEPTANOATE
CAS No: 898758-35-5 Catalog No: AG006OEC MDL No:
Product Description
Catalog Number:
AG006OEC
Chemical Name:
ETHYL 7-(2,5-DIMETHOXYPHENYL)-7-OXOHEPTANOATE
CAS Number:
898758-35-5
Molecular Formula:
C17H24O5
Molecular Weight:
308.3695
IUPAC Name:
ethyl 7-(2,5-dimethoxyphenyl)-7-oxoheptanoate
InChI:
InChI=1S/C17H24O5/c1-4-22-17(19)9-7-5-6-8-15(18)14-12-13(20-2)10-11-16(14)21-3/h10-12H,4-9H2,1-3H3
InChI Key:
DRROUPKCJQINEV-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCC(=O)c1cc(OC)ccc1OC
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.162g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.374g/mol
Monoisotopic Mass:
308.162g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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