Coixol

C8H7NO3CAS 532-91-2165.15 g/mol

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ONOHO
EtherPhenol

Properties

Molecular formula
C8H7NO3
Molar mass
165.15 g/mol
Exact mass
165.0426 Da
Melting point
151.5–152.5 °C
logP
1.54Crippen estimate
Polar surface area
55.5 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Hazards

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

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Identifiers

CAS number
532-91-2
SMILES
COc1ccc2nc(O)oc2c1
InChIKey
MKMCJLMBVKHUMS-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO3/c1-11-5-2-3-6-7(4-5)12-8(10)9-6/h2-4H,1H3,(H,9,10)

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Names and synonyms

10 names
  • 2(3H)-Benzoxazolone, 6-methoxy-
  • 2-Benzoxazolinone, 6-methoxy-
  • 6-Methoxy-2(3H)-benzoxazolone
  • 6-Methoxy-2-benzoxazolinone
  • 6-Methoxybenzoxazolinone
  • MBOA
  • 6-MBOA
  • 6-Methoxy-3H-benzoxazol-2-one
  • 6-Methoxybenzoxazolin-2(3H)-one
  • 6-Methoxybenzo[d]oxazol-2(3H)-one

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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-Chloro-2,3-dihydrobenzoxazol-2-one19932-84-454 % similar 6-Bromo-2(3H)-benzoxazolone19932-85-554 % similar 2(3H)-Benzoxazolone59-49-449 % similar 6-Nitro-2-benzoxazolone4694-91-147 % similar 2,3-Dichloro-6-methoxyquinoxaline39267-04-444 % similar 5-Bromo-2-benzoxazolinone14733-73-443 % similar Chlorzoxazone95-25-043 % similar 6-Methoxy-2-methylquinoline1078-28-041 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

P-Nitroacetophenone100-19-6 Methyl 6-formylpyridine-3-carboxylate10165-86-3 3′-Nitroacetophenone121-89-1 2-Methyl-5-nitrobenzaldehyde16634-91-6 5-Nitro-2,3-dihydro-1-benzofuran17403-47-3 3-Methyl-4-nitrobenzaldehyde18515-67-8 1,3-Benzodioxole-5-carboxaldehyde oxime2089-36-3 2-Amino-3-formylbenzoic acid27867-47-6

Elsewhere

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