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19780-44-0 | 3-Hexanol, 4-ethyl-
CAS No: 19780-44-0 Catalog No: AG002B29 MDL No:
Product Description
Catalog Number:
AG002B29
Chemical Name:
3-Hexanol, 4-ethyl-
CAS Number:
19780-44-0
Molecular Formula:
C8H18O
Molecular Weight:
130.2279
IUPAC Name:
4-ethylhexan-3-ol
InChI:
InChI=1S/C8H18O/c1-4-7(5-2)8(9)6-3/h7-9H,4-6H2,1-3H3
InChI Key:
BOJLCKCCKQMGKD-UHFFFAOYSA-N
SMILES:
CCC(C(CC)O)CC
NSC Number:
96958
Properties
Complexity:
57.6
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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