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116422-40-3 | 1-Propanol, 2-(hexyloxy)-, (2S)-
CAS No: 116422-40-3 Catalog No: AG000CGI MDL No:
Product Description
Catalog Number:
AG000CGI
Chemical Name:
1-Propanol, 2-(hexyloxy)-, (2S)-
CAS Number:
116422-40-3
Molecular Formula:
C9H20O2
Molecular Weight:
160.2539
IUPAC Name:
2-hexoxypropan-1-ol
InChI:
InChI=1S/C9H20O2/c1-3-4-5-6-7-11-9(2)8-10/h9-10H,3-8H2,1-2H3
InChI Key:
IRZHCXWAHUFSFW-UHFFFAOYSA-N
SMILES:
CCCCCCO[C@H](CO)C
Properties
Complexity:
74
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.146g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.257g/mol
Monoisotopic Mass:
160.146g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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