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999-38-2 | 2-Nonanone, 9-hydroxy-6-methyl-
CAS No: 999-38-2 Catalog No: AG003VIQ MDL No:
Product Description
Catalog Number:
AG003VIQ
Chemical Name:
2-Nonanone, 9-hydroxy-6-methyl-
CAS Number:
999-38-2
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
IUPAC Name:
9-hydroxy-6-methylnonan-2-one
InChI:
InChI=1S/C10H20O2/c1-9(6-4-8-11)5-3-7-10(2)12/h9,11H,3-8H2,1-2H3
InChI Key:
LVGGXLLFBIIYNS-UHFFFAOYSA-N
SMILES:
OCCCC(CCCC(=O)C)C
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.146g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.268g/mol
Monoisotopic Mass:
172.146g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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