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72486-09-0

72486-09-0 | 3-Butyn-1-ol, methanesulfonate

CAS No: 72486-09-0 Catalog No: AG005HC3 MDL No:MFCD12912983

Product Description

Catalog Number:
AG005HC3
Chemical Name:
3-Butyn-1-ol, methanesulfonate
CAS Number:
72486-09-0
Molecular Formula:
C5H10O4S
Molecular Weight:
166.1955
MDL Number:
MFCD12912983
IUPAC Name:
but-3-ynyl methanesulfonate
InChI:
InChI=1S/C5H8O3S/c1-3-4-5-8-9(2,6)7/h1H,4-5H2,2H3
InChI Key:
APJYYFNGGGLDJF-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.OCCC#C

Properties

Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.019g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.176g/mol
Monoisotopic Mass:
148.019g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

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