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189314-60-1 | Pentanoic acid, 2,2-dihydroxy-
CAS No: 189314-60-1 Catalog No: AG002IA4 MDL No:
Product Description
Catalog Number:
AG002IA4
Chemical Name:
Pentanoic acid, 2,2-dihydroxy-
CAS Number:
189314-60-1
Molecular Formula:
C5H10O4
Molecular Weight:
134.1305
IUPAC Name:
2,2-dihydroxypentanoic acid
InChI:
InChI=1S/C5H10O4/c1-2-3-5(8,9)4(6)7/h8-9H,2-3H2,1H3,(H,6,7)
InChI Key:
GJDQCBHLUBZQFJ-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)O)(O)O
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.058g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
134.131g/mol
Monoisotopic Mass:
134.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| pH-tuneable binding of 2'-phospho-ADP-ribose to ketopantoate reductase: a structural and calorimetric study. | Acta crystallographica. Section D, Biological crystallography 20070201 |
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