61888-37-7
5-(4-METHYLPHENYL)CYCLOHEXANE-1,3-DIONE
Name
5-(4-METHYLPHENYL)CYCLOHEXANE-1,3-DIONE
Formula
C13 H14 O2
MolWeight
202.252
1Identification
【Name】
5-(4-METHYLPHENYL)CYCLOHEXANE-1,3-DIONE
【CAS】
【MDL】
MFCD00111717
【English Synonyms】
【Formula】
C13 H14 O2
【MolWeight】
202.252
【Inchi】
InChI=1S/C13H14O2/c1-9-2-4-10(5-3-9)11-6-12(14)8-13(15)7-11/h2-5,11H,6-8H2,1H3
【InChIKey】
InChIKey=NFJVIBUOAMVFME-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)C2CC(=O)CC(=O)C2
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(4-METHYLPHENYL)CYCLOHEXANE-1,3-DIONE.cml
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