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761-01-3 | Sulfur trioxide triethylamine complex
CAS No: 761-01-3 Catalog No: AG0035ML MDL No:MFCD00043315
Product Description
Catalog Number:
AG0035ML
Chemical Name:
Sulfur trioxide triethylamine complex
CAS Number:
761-01-3
Molecular Formula:
C6H15NO3S
Molecular Weight:
181.2532
MDL Number:
MFCD00043315
IUPAC Name:
N,N-diethylethanamine;sulfur trioxide
InChI:
InChI=1S/C6H15N.O3S/c1-4-7(5-2)6-3;1-4(2)3/h4-6H2,1-3H3;
InChI Key:
YYHPEVZFVMVUNJ-UHFFFAOYSA-N
SMILES:
O=S(=O)=O.CCN(CC)CC
Properties
Complexity:
87.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.077g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.25g/mol
Monoisotopic Mass:
181.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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