Home Other Building Blocks 3,6-Octanediol

3,6-Octanediol

CAS No.:
24434-09-1
Catalog Number:
AG006UYS
Molecular Formula:
C8H18O2
Molecular Weight:
146.2273
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Product Description
Catalog Number:
AG006UYS
Chemical Name:
3,6-Octanediol
CAS Number:
24434-09-1
Molecular Formula:
C8H18O2
Molecular Weight:
146.2273
MDL Number:
MFCD02094003
IUPAC Name:
octane-3,6-diol
InChI:
InChI=1S/C8H18O2/c1-3-7(9)5-6-8(10)4-2/h7-10H,3-6H2,1-2H3
InChI Key:
BCKOQWWRTRBSGR-UHFFFAOYSA-N
SMILES:
CCC(CCC(CC)O)O
Properties
Complexity:
63.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.131g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
146.23g/mol
Monoisotopic Mass:
146.131g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties