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123627-24-7 | Pentanediol, methyl-
CAS No: 123627-24-7 Catalog No: AG000KWA MDL No:
Product Description
Catalog Number:
AG000KWA
Chemical Name:
Pentanediol, methyl-
CAS Number:
123627-24-7
Molecular Formula:
C6H14O2
Molecular Weight:
118.1742
IUPAC Name:
hexane-2,2-diol
InChI:
InChI=1S/C6H14O2/c1-3-4-5-6(2,7)8/h7-8H,3-5H2,1-2H3
InChI Key:
SAMYCKUDTNLASP-UHFFFAOYSA-N
SMILES:
CCCCC(O)(O)C
Properties
Complexity:
59.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.099g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
118.176g/mol
Monoisotopic Mass:
118.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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