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115392-15-9 | 1-Propanol, 2-propoxy-, (2S)-
CAS No: 115392-15-9 Catalog No: AG000FX1 MDL No:
Product Description
Catalog Number:
AG000FX1
Chemical Name:
1-Propanol, 2-propoxy-, (2S)-
CAS Number:
115392-15-9
Molecular Formula:
C6H14O2
Molecular Weight:
118.1742
IUPAC Name:
2-propoxypropan-1-ol
InChI:
InChI=1S/C6H14O2/c1-3-4-8-6(2)5-7/h6-7H,3-5H2,1-2H3
InChI Key:
PSKIVCBTSGNKBB-UHFFFAOYSA-N
SMILES:
CCCO[C@H](CO)C
Properties
Complexity:
45.8
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:
1
Isotope Atom Count:
0
Molecular Weight:
118.176g/mol
Monoisotopic Mass:
118.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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