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141516-28-1 | Propanoic acid, 2-methyl-3-(octylsulfonyl)-
CAS No: 141516-28-1 Catalog No: AG001GJA MDL No:
Product Description
Catalog Number:
AG001GJA
Chemical Name:
Propanoic acid, 2-methyl-3-(octylsulfonyl)-
CAS Number:
141516-28-1
Molecular Formula:
C12H24O4S
Molecular Weight:
264.3816
IUPAC Name:
2-methyl-3-octylsulfonylpropanoic acid
InChI:
InChI=1S/C12H24O4S/c1-3-4-5-6-7-8-9-17(15,16)10-11(2)12(13)14/h11H,3-10H2,1-2H3,(H,13,14)
InChI Key:
VYAZKWOHOKUTRP-UHFFFAOYSA-N
SMILES:
CCCCCCCCS(=O)(=O)CC(C(=O)O)C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.14g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.38g/mol
Monoisotopic Mass:
264.14g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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