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Cycloheptane-1,3-dione

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Catalog Number
ACM1194189
Product Name
Cycloheptane-1,3-dione
Structure
Cycloheptane-1,3-dione
CAS
1194-18-9
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IUPAC Name
cycloheptane-1,3-dione;
Molecular Weight
126.155g/mol
Molecular Formula
C7H10O2;
Canonical SMILES
C1CCC(=O)CC(=O)C1;
InChI
InChI=1S/C7H10O2/c8-6-3-1-2-4-7(9)5-6/h1-5H2;
InChI Key
DBOVMTXPZWVYAQ-UHFFFAOYSA-N;
Complexity
122
Covalently-Bonded Unit Count
1
Exact Mass
126.068g/mol
H-Bond Acceptor
2
Heavy Atom Count
9
Monoisotopic Mass
126.068g/mol
Topological Polar Surface Area
34.1A^2
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