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methyl benzoate

PropertiesImage
MNX_IDMNXM61842 Image of MNXM61842
referencechebi:72775
formulaC8H8O2
global charge0
mol weight136.15
InChIKeyQPJVMBTYPHYUOC-UHFFFAOYSA-N
InChIInChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
SMILESCOC(=O)C1=CC=CC=C1
MNX internals
InChI (mnx)InChI=1/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3 Image of MNXM61842
SMILES (mnx)[CH3:1][O:10][C:8]([C:7]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)=[O:9]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:72775
chebi:72775
QPJVMBTYPHYUOC-UHFFFAOYSA-N
methyl benzoate
Benzoic acid, methyl ester
Methyl benzenecarboxylate

kegg.compound:C20645
keggC:C20645
QPJVMBTYPHYUOC-UHFFFAOYSA-N
Methyl benzoate
hmdb:HMDB0033968
QPJVMBTYPHYUOC-UHFFFAOYSA-N
Methyl benzoate
Benzoate, methyl ester
Benzoic acid methyl ester
Benzoic acid, methyl ester
Clorius
Methyl benzenecarboxylate
Methyl benzenecarboxylic acid
Methyl benzoic acid
Methyl ester OF benzoic acid
Methylbenzoate
Niobe oil
Oil OF niobe
Oniobe oil
methyl benzoate

metacyc.compound:CPD-6441
metacycM:CPD-6441
QPJVMBTYPHYUOC-UHFFFAOYSA-N
methyl benzoate
benzoic acid methyl ester
methyl benzenecarboxylate

seed.compound:cpd24635
seedM:cpd24635
QPJVMBTYPHYUOC-UHFFFAOYSA-N
methylbenzoate
Methyl benzoate
methyl benzoate

CHEBI:25280
chebi:25280
methylbenzoic acid
methylbenzoic acids

hmdb:HMDB33968
keggC:M_C20645
seedM:M_cpd24635
secondary/obsolete/fantasy identifier