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31093-97-7 | Benzenesulfonic acid, butyl-
CAS No: 31093-97-7 Catalog No: AG00323Y MDL No:
Product Description
Catalog Number:
AG00323Y
Chemical Name:
Benzenesulfonic acid, butyl-
CAS Number:
31093-97-7
Molecular Formula:
C10H14O3S
Molecular Weight:
214.2814
IUPAC Name:
2-butylbenzenesulfonic acid
InChI:
InChI=1S/C10H14O3S/c1-2-3-6-9-7-4-5-8-10(9)14(11,12)13/h4-5,7-8H,2-3,6H2,1H3,(H,11,12,13)
InChI Key:
QFNSAOSWJSCHID-UHFFFAOYSA-N
SMILES:
CCCCc1ccccc1S(=O)(=O)O
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.066g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.279g/mol
Monoisotopic Mass:
214.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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