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114466-10-3 | 1-Pentene-1-sulfonic acid, 2-methyl-
CAS No: 114466-10-3 Catalog No: AG000EGQ MDL No:
Product Description
Catalog Number:
AG000EGQ
Chemical Name:
1-Pentene-1-sulfonic acid, 2-methyl-
CAS Number:
114466-10-3
Molecular Formula:
C6H12O3S
Molecular Weight:
164.2227
IUPAC Name:
2-methylpent-1-ene-1-sulfonic acid
InChI:
InChI=1S/C6H12O3S/c1-3-4-6(2)5-10(7,8)9/h5H,3-4H2,1-2H3,(H,7,8,9)
InChI Key:
BRNDFMNCOYQXBB-UHFFFAOYSA-N
SMILES:
CCCC(=CS(=O)(=O)O)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.051g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.219g/mol
Monoisotopic Mass:
164.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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