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24083-13-4 | 4-(Octyloxy)benzaldehyde
CAS No: 24083-13-4 Catalog No: AG003K9W MDL No:MFCD00014136
Product Description
Catalog Number:
AG003K9W
Chemical Name:
4-(Octyloxy)benzaldehyde
CAS Number:
24083-13-4
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
MDL Number:
MFCD00014136
IUPAC Name:
4-octoxybenzaldehyde
InChI:
InChI=1S/C15H22O2/c1-2-3-4-5-6-7-12-17-15-10-8-14(13-16)9-11-15/h8-11,13H,2-7,12H2,1H3
InChI Key:
KVOWZHASDIKNFK-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(cc1)C=O
EC Number:
246-012-1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.339g/mol
Monoisotopic Mass:
234.162g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
Literature
| Title | Journal |
|---|---|
| Novel echinocandin antifungals. Part 1: novel side-chain analogs of the natural product FR901379. | Bioorganic & medicinal chemistry letters 20080215 |
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