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119227-71-3 | 9-Decyn-1-ol, 1-methanesulfonate
CAS No: 119227-71-3 Catalog No: AG000IEP MDL No:
Product Description
Catalog Number:
AG000IEP
Chemical Name:
9-Decyn-1-ol, 1-methanesulfonate
CAS Number:
119227-71-3
Molecular Formula:
C11H20O3S
Molecular Weight:
232.3397
IUPAC Name:
dec-9-yn-1-ol;methanesulfonic acid
InChI:
InChI=1S/C10H18O.CH4O3S/c1-2-3-4-5-6-7-8-9-10-11;1-5(2,3)4/h1,11H,3-10H2;1H3,(H,2,3,4)
InChI Key:
AWESFRMLAVNTNI-UHFFFAOYSA-N
SMILES:
C#CCCCCCCCCOS(=O)(=O)C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.124g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.353g/mol
Monoisotopic Mass:
250.124g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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