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160087-24-1 | Benzaldehyde, 4-(octadecylthio)-
CAS No: 160087-24-1 Catalog No: AG001RNS MDL No:
Product Description
Catalog Number:
AG001RNS
Chemical Name:
Benzaldehyde, 4-(octadecylthio)-
CAS Number:
160087-24-1
Molecular Formula:
C25H42OS
Molecular Weight:
390.6654
IUPAC Name:
4-octadecylsulfanylbenzaldehyde
InChI:
InChI=1S/C25H42OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-25-20-18-24(23-26)19-21-25/h18-21,23H,2-17,22H2,1H3
InChI Key:
ILYXXOCOVWKBNG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCSc1ccc(cc1)C=O
UNII:
L6B127HPHZ
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.296g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.67g/mol
Monoisotopic Mass:
390.296g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.7
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