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120069-21-8 | Acetonitrile, 2-[(1-methylethyl)sulfonyl]-
CAS No: 120069-21-8 Catalog No: AG000Q8U MDL No:MFCD00051755
Product Description
Catalog Number:
AG000Q8U
Chemical Name:
Acetonitrile, 2-[(1-methylethyl)sulfonyl]-
CAS Number:
120069-21-8
Molecular Formula:
C5H9NO2S
Molecular Weight:
147.1955
MDL Number:
MFCD00051755
IUPAC Name:
2-propan-2-ylsulfonylacetonitrile
InChI:
InChI=1S/C5H9NO2S/c1-5(2)9(7,8)4-3-6/h5H,4H2,1-2H3
InChI Key:
FJZQCBCJTUWIOQ-UHFFFAOYSA-N
SMILES:
CC(S(=O)(=O)CC#N)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.035g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.192g/mol
Monoisotopic Mass:
147.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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