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14613-32-2 | Benzenesulfonic acid, compd. with N,N-diethylethanamine (1:1)
CAS No: 14613-32-2 Catalog No: AG001DP7 MDL No:
Product Description
Catalog Number:
AG001DP7
Chemical Name:
Benzenesulfonic acid, compd. with N,N-diethylethanamine (1:1)
CAS Number:
14613-32-2
Molecular Formula:
C12H21NO3S
Molecular Weight:
259.3650
IUPAC Name:
benzenesulfonic acid;N,N-diethylethanamine
InChI:
InChI=1S/C6H15N.C6H6O3S/c1-4-7(5-2)6-3;7-10(8,9)6-4-2-1-3-5-6/h4-6H2,1-3H3;1-5H,(H,7,8,9)
InChI Key:
OPJDPIWCAQORQI-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1ccccc1.CCN(CC)CC
EC Number:
238-652-5
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.124g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.364g/mol
Monoisotopic Mass:
259.124g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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