CAS
56246-45-8 Purity
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56246-45-8 Purity
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4,4-Dimethylcyclohexane-1,3-dione
CAS
562-46-9
Catalog Number
ACM562469
Category
Other Products
Molecular Weight
140.182g/mol
Molecular Formula
C8H12O2;
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Specification
Synonyms
ZINC100019159; AK-76487; TC-121217; 562-46-9; 4,4-Dimethyl-1,3-cyclohexanedione, 98%; Z3773; 1,3-Cyclohexanedione,4,4-dimethyl-; K-9972; GEO-02812; ACMC-209lre;
IUPAC Name
4,4-dimethylcyclohexane-1,3-dione;
Canonical SMILES
CC1(CCC(=O)CC1=O)C;
InChI
InChI=1S/C8H12O2/c1-8(2)4-3-6(9)5-7(8)10/h3-5H2,1-2H3;
InChI Key
PLGPBTCNKJQJHQ-UHFFFAOYSA-N;
Complexity
180
Covalently-Bonded Unit Count
1
Exact Mass
140.084g/mol
H-Bond Acceptor
2
Heavy Atom Count
10
Monoisotopic Mass
140.084g/mol
Topological Polar Surface Area
34.1A^2
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56246-58-3 Purity
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56247-59-7 Purity
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56247-61-1 Purity
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56247-61-1 Purity
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