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124389-14-6 | Benzaldehyde, 4-[(11-hydroxyundecyl)oxy]-
CAS No: 124389-14-6 Catalog No: AG000LXW MDL No:
Product Description
Catalog Number:
AG000LXW
Chemical Name:
Benzaldehyde, 4-[(11-hydroxyundecyl)oxy]-
CAS Number:
124389-14-6
Molecular Formula:
C18H28O3
Molecular Weight:
292.4131
IUPAC Name:
4-(11-hydroxyundecoxy)benzaldehyde
InChI:
InChI=1S/C18H28O3/c19-14-8-6-4-2-1-3-5-7-9-15-21-18-12-10-17(16-20)11-13-18/h10-13,16,19H,1-9,14-15H2
InChI Key:
YUNZXZMRQBKWQP-UHFFFAOYSA-N
SMILES:
OCCCCCCCCCCCOc1ccc(cc1)C=O
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.204g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.419g/mol
Monoisotopic Mass:
292.204g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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