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16066-21-0 | 1-Butanesulfonic acid, 3-methyl-
CAS No: 16066-21-0 Catalog No: AG001S3P MDL No:
Product Description
Catalog Number:
AG001S3P
Chemical Name:
1-Butanesulfonic acid, 3-methyl-
CAS Number:
16066-21-0
Molecular Formula:
C5H12O3S
Molecular Weight:
152.2120
IUPAC Name:
3-methylbutane-1-sulfonic acid
InChI:
InChI=1S/C5H12O3S/c1-5(2)3-4-9(6,7)8/h5H,3-4H2,1-2H3,(H,6,7,8)
InChI Key:
HYZYOKHLDUXUQK-UHFFFAOYSA-N
SMILES:
CC(CCS(=O)(=O)O)C
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.051g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.208g/mol
Monoisotopic Mass:
152.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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