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

3-methylpentane-2,3,4-triol

CAS No.:
1185-10-0
Catalog Number:
AG01DYGT
Molecular Formula:
C6H14O3
Molecular Weight:
134.1736
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Product Description
Catalog Number:
AG01DYGT
Chemical Name:
3-methylpentane-2,3,4-triol
CAS Number:
1185-10-0
Molecular Formula:
C6H14O3
Molecular Weight:
134.1736
MDL Number:
MFCD31666478
IUPAC Name:
3-methylpentane-2,3,4-triol
InChI:
InChI=1S/C6H14O3/c1-4(7)6(3,9)5(2)8/h4-5,7-9H,1-3H3
InChI Key:
FOVLHFSUVQWMCM-UHFFFAOYSA-N
SMILES:
CC(C(C(O)C)(O)C)O
Properties
Complexity:
84.3  
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:
3  
Isotope Atom Count:
0
Molecular Weight:
134.175g/mol
Monoisotopic Mass:
134.094g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Properties