N-Acetoacetyl cresidine

C12H15NO3CAS 85968-72-5221.26 g/mol

OHNOO
AmideEtherKetone

Properties

Molecular formula
C12H15NO3
Molar mass
221.26 g/mol
Exact mass
221.1052 Da
logP
1.92Crippen estimate
Polar surface area
55.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

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
85968-72-5
SMILES
CC1=CC(=C(C=C1)OC)NC(=O)CC(=O)C
InChIKey
BZKDEDRZTISGLD-UHFFFAOYSA-N
InChI
InChI=1S/C12H15NO3/c1-8-4-5-11(16-3)10(6-8)13-12(15)7-9(2)14/h4-6H,7H2,1-3H3,(H,13,15)

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Names and synonyms

1 names
  • N-(2-Methoxy-5-methylphenyl)-3-oxobutanamide

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Similar compounds

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

Same formula

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