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139602-06-5 | Pentanedioic acid, 2,4-dioxo-
CAS No: 139602-06-5 Catalog No: AG001BCU MDL No:
Product Description
Catalog Number:
AG001BCU
Chemical Name:
Pentanedioic acid, 2,4-dioxo-
CAS Number:
139602-06-5
Molecular Formula:
C5H4O6
Molecular Weight:
160.0817
IUPAC Name:
2,4-dioxopentanedioic acid
InChI:
InChI=1S/C5H4O6/c6-2(4(8)9)1-3(7)5(10)11/h1H2,(H,8,9)(H,10,11)
InChI Key:
TVKBBTQJNQDZRU-UHFFFAOYSA-N
SMILES:
O=C(C(=O)O)CC(=O)C(=O)O
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.001g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
160.081g/mol
Monoisotopic Mass:
160.001g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
Literature
| Title | Journal |
|---|---|
| Catalysis, specificity, and ACP docking site of Streptomyces coelicolor malonyl-CoA:ACP transacylase. | Structure (London, England : 1993) 20030201 |
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