Home Other Building Blocks 3-methylpentane-2,4-diol

3-methylpentane-2,4-diol

CAS No.:
5683-44-3
Catalog Number:
AG01C2M7
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01C2M7
Chemical Name:
3-methylpentane-2,4-diol
CAS Number:
5683-44-3
MDL Number:
MFCD00004547
IUPAC Name:
3-methylpentane-2,4-diol
InChI:
InChI=1S/C6H14O2/c1-4(5(2)7)6(3)8/h4-8H,1-3H3
InChI Key:
RBQLGIKHSXQZTB-UHFFFAOYSA-N
EC Number:
227-150-1
NSC Number:
66498
Properties
Complexity:
55.5  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
118.176g/mol
Monoisotopic Mass:
118.099g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties