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128317-03-3 | Nonanoic acid, 6-hydroxy-4-oxo-
CAS No: 128317-03-3 Catalog No: AG000XZF MDL No:
Product Description
Catalog Number:
AG000XZF
Chemical Name:
Nonanoic acid, 6-hydroxy-4-oxo-
CAS Number:
128317-03-3
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
IUPAC Name:
6-hydroxy-4-oxononanoic acid
InChI:
InChI=1S/C9H16O4/c1-2-3-7(10)6-8(11)4-5-9(12)13/h7,10H,2-6H2,1H3,(H,12,13)
InChI Key:
MICRRSRTOYVLMG-UHFFFAOYSA-N
SMILES:
CCCC(CC(=O)CCC(=O)O)O
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.223g/mol
Monoisotopic Mass:
188.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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