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139720-98-2 | 1-Propanol, 2-(3-hydroxypropoxy)-
CAS No: 139720-98-2 Catalog No: AG001BLB MDL No:
Product Description
Catalog Number:
AG001BLB
Chemical Name:
1-Propanol, 2-(3-hydroxypropoxy)-
CAS Number:
139720-98-2
Molecular Formula:
C6H14O3
Molecular Weight:
134.1736
IUPAC Name:
2-(3-hydroxypropoxy)propan-1-ol
InChI:
InChI=1S/C6H14O3/c1-6(5-8)9-4-2-3-7/h6-8H,2-5H2,1H3
InChI Key:
PEMZXAMXLONKKE-UHFFFAOYSA-N
SMILES:
OCCCOC(CO)C
Properties
Complexity:
56.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.094g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
134.175g/mol
Monoisotopic Mass:
134.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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