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202577-28-4 | 1-Pentanol, 5,5-diethoxy-, 1-methanesulfonate
CAS No: 202577-28-4 Catalog No: AG0028AM MDL No:
Product Description
Catalog Number:
AG0028AM
Chemical Name:
1-Pentanol, 5,5-diethoxy-, 1-methanesulfonate
CAS Number:
202577-28-4
Molecular Formula:
C10H22O5S
Molecular Weight:
254.3437
IUPAC Name:
5,5-diethoxypentyl methanesulfonate
InChI:
InChI=1S/C10H22O5S/c1-4-13-10(14-5-2)8-6-7-9-15-16(3,11)12/h10H,4-9H2,1-3H3
InChI Key:
BKQDXUHOGXVKGP-UHFFFAOYSA-N
SMILES:
CCOC(OCC)CCCCOS(=O)(=O)C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.119g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.341g/mol
Monoisotopic Mass:
254.119g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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