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115109-59-6 | Pentanoic acid, 5-(4-formyl-3,5-dimethoxyphenoxy)-
CAS No: 115109-59-6 Catalog No: AG000GAM MDL No:
Product Description
Catalog Number:
AG000GAM
Chemical Name:
Pentanoic acid, 5-(4-formyl-3,5-dimethoxyphenoxy)-
CAS Number:
115109-59-6
Molecular Formula:
C14H18O6
Molecular Weight:
282.2891
IUPAC Name:
5-(4-formyl-3,5-dimethoxyphenoxy)pentanoic acid
InChI:
InChI=1S/C14H18O6/c1-18-12-7-10(8-13(19-2)11(12)9-15)20-6-4-3-5-14(16)17/h7-9H,3-6H2,1-2H3,(H,16,17)
InChI Key:
CIIDLPOIPLDETM-UHFFFAOYSA-N
SMILES:
COc1cc(OCCCCC(=O)O)cc(c1C=O)OC
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.11g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.292g/mol
Monoisotopic Mass:
282.11g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Synthesis and conformational investigation of cyclic dipeptides: 7-membered rings containing alpha- and beta-amino acids. | Journal of peptide science : an official publication of the European Peptide Society 20030301 |
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