Home Other Building Blocks 2-ethyl-1,2-butanediol

2-ethyl-1,2-butanediol

CAS No.:
66553-16-0
Catalog Number:
AG01DWL0
Molecular Formula:
C6H14O2
Molecular Weight:
118.1742
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Product Description
Catalog Number:
AG01DWL0
Chemical Name:
2-ethyl-1,2-butanediol
CAS Number:
66553-16-0
Molecular Formula:
C6H14O2
Molecular Weight:
118.1742
MDL Number:
MFCD00085713
IUPAC Name:
2-ethylbutane-1,2-diol
InChI:
InChI=1S/C6H14O2/c1-3-6(8,4-2)5-7/h7-8H,3-5H2,1-2H3
InChI Key:
RMEZNLDVMHNLHR-UHFFFAOYSA-N
SMILES:
CCC(CO)(CC)O
Properties
Complexity:
57.5  
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:
3  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties