6-Nitrochroman-4-one

C₉H₇NO₄CAS 68043-53-8193.16 g/mol

Open in Covalent MOL file

Ether Ketone Nitro

Properties

Molecular formula: C₉H₇NO₄
Molar mass: 193.16 g/mol
Exact mass: 193.0375 Da
logP: 1.56Crippen estimate
Polar surface area: 69.4 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

68043-53-8

SMILES

C1COC2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

InChIKey

KUAWMWVXZMQZLD-UHFFFAOYSA-N

InChI

InChI=1S/C9H7NO4/c11-8-3-4-14-9-2-1-6(10(12)13)5-7(8)9/h1-2,5H,3-4H2

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Names and synonyms

1 names

6-Nitro-3,4-dihydro-2H-1-benzopyran-4-one

Work with 6-Nitrochroman-4-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Nitroindanone24623-24-360 % similar 2,3-Dihydro-6-nitro-1,4-benzodioxin16498-20-759 % similar 7-Nitro-1-tetralone40353-34-257 % similar 6-Bromo-2,3-dihydro-4H-chromen-4-one49660-57-356 % similar 5-Nitro-2,3-dihydro-1-benzofuran17403-47-355 % similar 6-Chloro-2,3-dihydro-4H-1-benzopyran-4-one37674-72-955 % similar 6-Methyl-4-chromanone39513-75-255 % similar 4'-Nitrobenzo-18-crown 6-Ether53408-96-155 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-(2-Nitroethenyl)-1,3-benzodioxole1485-00-3 3-(3-Nitrophenyl)-2-propenoic acid555-68-0 3-(2-Nitrophenyl)-2-propenoic acid612-41-9 1-(4-Nitrophenyl)-1,2-propanedione6159-25-7 4-Nitrocinnamic acid619-89-6 trans-4-Nitrocinnamic acid882-06-4

Elsewhere

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