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137322-07-7 | Benzenesulfonic acid, tetrapropyl-
CAS No: 137322-07-7 Catalog No: AG00133W MDL No:
Product Description
Catalog Number:
AG00133W
Chemical Name:
Benzenesulfonic acid, tetrapropyl-
CAS Number:
137322-07-7
Molecular Formula:
C18H30O3S
Molecular Weight:
326.4940
IUPAC Name:
2,3,4,5-tetrapropylbenzenesulfonic acid
InChI:
InChI=1S/C18H30O3S/c1-5-9-14-13-18(22(19,20)21)17(12-8-4)16(11-7-3)15(14)10-6-2/h13H,5-12H2,1-4H3,(H,19,20,21)
InChI Key:
MZQKADNPDLDGJD-UHFFFAOYSA-N
SMILES:
CCCc1cc(c(c(c1CCC)CCC)CCC)S(=O)(=O)O
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.192g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.495g/mol
Monoisotopic Mass:
326.192g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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