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92610-45-2 | Pentadecanal, 3-[(4-methylphenyl)sulfonyl]-
CAS No: 92610-45-2 Catalog No: AG006G25 MDL No:
Product Description
Catalog Number:
AG006G25
Chemical Name:
Pentadecanal, 3-[(4-methylphenyl)sulfonyl]-
CAS Number:
92610-45-2
Molecular Formula:
C22H36O3S
Molecular Weight:
380.5844
IUPAC Name:
3-(4-methylphenyl)sulfonylpentadecanal
InChI:
InChI=1S/C22H36O3S/c1-3-4-5-6-7-8-9-10-11-12-13-21(18-19-23)26(24,25)22-16-14-20(2)15-17-22/h14-17,19,21H,3-13,18H2,1-2H3
InChI Key:
BBZZLJVXDJUOQD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC(S(=O)(=O)c1ccc(cc1)C)CC=O
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.239g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.587g/mol
Monoisotopic Mass:
380.239g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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