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148429-68-9 | Propanoic acid, 3-(octadecylsulfonyl)-
CAS No: 148429-68-9 Catalog No: AG001KX3 MDL No:
Product Description
Catalog Number:
AG001KX3
Chemical Name:
Propanoic acid, 3-(octadecylsulfonyl)-
CAS Number:
148429-68-9
Molecular Formula:
C21H42O4S
Molecular Weight:
390.6208
IUPAC Name:
3-octadecylsulfonylpropanoic acid
InChI:
InChI=1S/C21H42O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-26(24,25)20-18-21(22)23/h2-20H2,1H3,(H,22,23)
InChI Key:
LECXDNCKDPSAFV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCS(=O)(=O)CCC(=O)O
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.28g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
390.623g/mol
Monoisotopic Mass:
390.28g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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