Home Other Building Blocks 2-(oxan-4-yl)propane-1,3-diol

2-(oxan-4-yl)propane-1,3-diol

CAS No.:
1891157-54-2
Catalog Number:
AG01EIJD
Molecular Formula:
C8H16O3
Molecular Weight:
160.2108
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Product Description
Catalog Number:
AG01EIJD
Chemical Name:
2-(oxan-4-yl)propane-1,3-diol
CAS Number:
1891157-54-2
Molecular Formula:
C8H16O3
Molecular Weight:
160.2108
MDL Number:
MFCD31615565
IUPAC Name:
2-(oxan-4-yl)propane-1,3-diol
InChI:
InChI=1S/C8H16O3/c9-5-8(6-10)7-1-3-11-4-2-7/h7-10H,1-6H2
InChI Key:
QMHJKMDFKZKBJR-UHFFFAOYSA-N
SMILES:
OCC(C1CCOCC1)CO
Properties
Complexity:
95.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.11g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
160.213g/mol
Monoisotopic Mass:
160.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties