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1408058-14-9

1408058-14-9 | Pentanoic acid, 5-(chlorosulfonyl)-, methyl ester

CAS No: 1408058-14-9 Catalog No: AG001CSB MDL No:MFCD22574974

Product Description

Catalog Number:
AG001CSB
Chemical Name:
Pentanoic acid, 5-(chlorosulfonyl)-, methyl ester
CAS Number:
1408058-14-9
Molecular Formula:
C6H11ClO4S
Molecular Weight:
214.6671
MDL Number:
MFCD22574974
IUPAC Name:
methyl 5-chlorosulfonylpentanoate
InChI:
InChI=1S/C6H11ClO4S/c1-11-6(8)4-2-3-5-12(7,9)10/h2-5H2,1H3
InChI Key:
IECLVGBBQICKPG-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCS(=O)(=O)Cl

Properties

Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.007g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.66g/mol
Monoisotopic Mass:
214.007g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

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