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19781-11-4 | 4-Octanol, 2,7-dimethyl-
CAS No: 19781-11-4 Catalog No: AG002B2X MDL No:
Product Description
Catalog Number:
AG002B2X
Chemical Name:
4-Octanol, 2,7-dimethyl-
CAS Number:
19781-11-4
Molecular Formula:
C10H22O
Molecular Weight:
158.2811
IUPAC Name:
2,7-dimethyloctan-4-ol
InChI:
InChI=1S/C10H22O/c1-8(2)5-6-10(11)7-9(3)4/h8-11H,5-7H2,1-4H3
InChI Key:
FRJOBNOTOHIMIH-UHFFFAOYSA-N
SMILES:
CC(CCC(CC(C)C)O)C
Properties
Complexity:
86.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.167g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.285g/mol
Monoisotopic Mass:
158.167g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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