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116088-90-5 | 2-Butene, 2-(methylsulfonyl)-, (Z)- (9CI)
CAS No: 116088-90-5 Catalog No: AG000BLK MDL No:
Product Description
Catalog Number:
AG000BLK
Chemical Name:
2-Butene, 2-(methylsulfonyl)-, (Z)- (9CI)
CAS Number:
116088-90-5
Molecular Formula:
C5H10O2S
Molecular Weight:
134.1967
IUPAC Name:
2-methylsulfonylbut-2-ene
InChI:
InChI=1S/C5H10O2S/c1-4-5(2)8(3,6)7/h4H,1-3H3
InChI Key:
FVYTXIVLKJFNRT-UHFFFAOYSA-N
SMILES:
C/C=C(\S(=O)(=O)C)/C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.04g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.193g/mol
Monoisotopic Mass:
134.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.7
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