5,6,8,9-Tetrahydro-7H-benzo(7)annulen-7-one

C₁₁H₁₂OCAS 37949-03-4160.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₂O
Molar mass: 160.22 g/mol
Exact mass: 160.0888 Da
logP: 2.13Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

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

37949-03-4

SMILES

C1CC2=CC=CC=C2CCC1=O

InChIKey

MRLBDJHIJZHYMK-UHFFFAOYSA-N

InChI

InChI=1S/C11H12O/c12-11-7-5-9-3-1-2-4-10(9)6-8-11/h1-4H,5-8H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

8,9-Dihydro-5H-benzo[7]annulen-7(6H)-one

Work with 5,6,8,9-Tetrahydro-7H-benzo(7)annulen-7-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

2-Tetralone530-93-878 % similar 2-Indanone615-13-457 % similar 1-Indanone83-33-052 % similar 1-Phenyl-3-hexanone29898-25-752 % similar Benzocyclobutene694-87-150 % similar Dihydrocoumarin119-84-648 % similar N-Phenethyl-4-piperidinone39742-60-447 % similar 1,2,3,4-Tetrahydroquinolin-2-one553-03-747 % similar

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

Same formula

2-Methyl-1-tetralone1590-08-5 3-Methyl-4-phenyl-3-buten-2-one1901-26-4 4-Methyl-1-tetralone19832-98-5 7-Methyl-1-tetralone22009-37-6 3,3-Dimethyl-1-indanone26465-81-6 3,4-Dihydro-1-methyl-2(1H)-naphthalenone4024-14-0 Cyclobutyl phenyl ketone5407-98-7 Benzosuberone826-73-3

Elsewhere

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