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116530-80-4 | 2-Hexanol, 2,3,5-trimethyl-
CAS No: 116530-80-4 Catalog No: AG000CQG MDL No:
Product Description
Catalog Number:
AG000CQG
Chemical Name:
2-Hexanol, 2,3,5-trimethyl-
CAS Number:
116530-80-4
Molecular Formula:
C9H20O
Molecular Weight:
144.2545
IUPAC Name:
2,3,5-trimethylhexan-2-ol
InChI:
InChI=1S/C9H20O/c1-7(2)6-8(3)9(4,5)10/h7-8,10H,6H2,1-5H3
InChI Key:
KGIFPAGYBGXJGY-UHFFFAOYSA-N
SMILES:
CC(CC(C(O)(C)C)C)C
Properties
Complexity:
94.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.151g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.258g/mol
Monoisotopic Mass:
144.151g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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