5-(4-Nitrophenyl)cyclohexane-1,3-dione

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Catalog Number
ACM55579754-1
Product Name
5-(4-Nitrophenyl)cyclohexane-1,3-dione
CAS
55579-75-4
Category
Heterocyclic Organic Compound
Synonyms
1,3-Cyclohexanedione, 5-(4-nitrophenyl)-
IUPAC Name
5-(4-nitrophenyl)cyclohexane-1,3-dione
Molecular Weight
233.22
Molecular Formula
C12H11NO4
Canonical SMILES
C1C(CC(=O)CC1=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
LQMGHIOOSOQCQA-UHFFFAOYSA-N
InChI Key
InChI=1S/C12H11NO4/c14-11-5-9(6-12(15)7-11)8-1-3-10(4-2-8)13(16)17/h1-4,9H,5-7H2
Exact Mass
233.06900
H-Bond Acceptor
4
H-Bond Donor
0
Isomeric SMILES
C1C(CC(=O)CC1=O)C2=CC=C(C=C2)[N+](=O)[O-]
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