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6165-75-9 | Prop-2-yn-1-yl benzenesulfonate
CAS No: 6165-75-9 Catalog No: AG003TYZ MDL No:MFCD00013459
Product Description
Catalog Number:
AG003TYZ
Chemical Name:
Prop-2-yn-1-yl benzenesulfonate
CAS Number:
6165-75-9
Molecular Formula:
C9H8O3S
Molecular Weight:
196.2230
MDL Number:
MFCD00013459
IUPAC Name:
prop-2-ynyl benzenesulfonate
InChI:
InChI=1S/C9H8O3S/c1-2-8-12-13(10,11)9-6-4-3-5-7-9/h1,3-7H,8H2
InChI Key:
RAGBYXLIHQFIPK-UHFFFAOYSA-N
SMILES:
C#CCOS(=O)(=O)c1ccccc1
EC Number:
228-203-1
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.019g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.22g/mol
Monoisotopic Mass:
196.019g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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