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19780-96-2 | 5-Nonanol, 2,8-dimethyl-
CAS No: 19780-96-2 Catalog No: AG002B1O MDL No:
Product Description
Catalog Number:
AG002B1O
Chemical Name:
5-Nonanol, 2,8-dimethyl-
CAS Number:
19780-96-2
Molecular Formula:
C11H24O
Molecular Weight:
172.3077
IUPAC Name:
2,8-dimethylnonan-5-ol
InChI:
InChI=1S/C11H24O/c1-9(2)5-7-11(12)8-6-10(3)4/h9-12H,5-8H2,1-4H3
InChI Key:
WXCCASRWBAGQGY-UHFFFAOYSA-N
SMILES:
OC(CCC(C)C)CCC(C)C
Properties
Complexity:
85.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.183g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.312g/mol
Monoisotopic Mass:
172.183g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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