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13023-60-4 | 1-Butanol, 2,2-diethyl-
CAS No: 13023-60-4 Catalog No: AG000U62 MDL No:MFCD21671452
Product Description
Catalog Number:
AG000U62
Chemical Name:
1-Butanol, 2,2-diethyl-
CAS Number:
13023-60-4
Molecular Formula:
C8H18O
Molecular Weight:
130.2279
MDL Number:
MFCD21671452
IUPAC Name:
2,2-diethylbutan-1-ol
InChI:
InChI=1S/C8H18O/c1-4-8(5-2,6-3)7-9/h9H,4-7H2,1-3H3
InChI Key:
CBHXDVOSUKFRBE-UHFFFAOYSA-N
SMILES:
CCC(CO)(CC)CC
Properties
Complexity:
56.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.136g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
130.231g/mol
Monoisotopic Mass:
130.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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