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15833-80-4 | 1,2,4-Butanetriol, 3,3-dimethyl-
CAS No: 15833-80-4 Catalog No: AG001Q50 MDL No:MFCD28145152
Product Description
Catalog Number:
AG001Q50
Chemical Name:
1,2,4-Butanetriol, 3,3-dimethyl-
CAS Number:
15833-80-4
Molecular Formula:
C6H14O3
Molecular Weight:
134.1736
MDL Number:
MFCD28145152
IUPAC Name:
3,3-dimethylbutane-1,2,4-triol
InChI:
InChI=1S/C6H14O3/c1-6(2,4-8)5(9)3-7/h5,7-9H,3-4H2,1-2H3
InChI Key:
SJTKQIPAACOOGS-UHFFFAOYSA-N
SMILES:
OCC(C(CO)(C)C)O
EC Number:
239-936-1
Properties
Complexity:
80.4
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:
3
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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