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125534-36-3 | Propanoic acid, 3-(octylsulfonyl)-
CAS No: 125534-36-3 Catalog No: AG000NU6 MDL No:
Product Description
Catalog Number:
AG000NU6
Chemical Name:
Propanoic acid, 3-(octylsulfonyl)-
CAS Number:
125534-36-3
Molecular Formula:
C11H22O4S
Molecular Weight:
250.3550
IUPAC Name:
3-octylsulfonylpropanoic acid
InChI:
InChI=1S/C11H22O4S/c1-2-3-4-5-6-7-9-16(14,15)10-8-11(12)13/h2-10H2,1H3,(H,12,13)
InChI Key:
PXEBDVMQYVFOIL-UHFFFAOYSA-N
SMILES:
CCCCCCCCS(=O)(=O)CCC(=O)O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.124g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.353g/mol
Monoisotopic Mass:
250.124g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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