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2035-75-8

2035-75-8 | 2,7-Oxepanedione

CAS No: 2035-75-8 Catalog No: AG0028XO MDL No:MFCD01593588

Product Description

Catalog Number:
AG0028XO
Chemical Name:
2,7-Oxepanedione
CAS Number:
2035-75-8
Molecular Formula:
C6H8O3
Molecular Weight:
128.1259
MDL Number:
MFCD01593588
IUPAC Name:
oxepane-2,7-dione
InChI:
InChI=1S/C6H8O3/c7-5-3-1-2-4-6(8)9-5/h1-4H2
InChI Key:
JPSKCQCQZUGWNM-UHFFFAOYSA-N
SMILES:
O=C1CCCCC(=O)O1
EC Number:
218-001-1

Properties

Complexity:
123  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.047g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.127g/mol
Monoisotopic Mass:
128.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  

Literature

Title Journal
Histone deacetylase inhibitors reverse gene silencing in Friedreich's ataxia. Nature chemical biology 20061001

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