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5-methyl-1-naphthoate

PropertiesImage
MNX_IDMNXM145802 Image of MNXM145802
referencechebi:78251
formulaC12H9O2
global charge-1
mol weight185.202
InChIKeyVLEZTIKHFUAVRK-UHFFFAOYSA-M
InChIInChI=1S/C12H10O2/c1-8-4-2-6-10-9(8)5-3-7-11(10)12(13)14/h2-7H,1H3,(H,13,14)/p-1
SMILESCC1=CC=CC2=C1C=CC=C2C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C12H10O2/c1-8-4-2-6-10-9(8)5-3-7-11(10)12(13)14/h2-7H,1H3,(H,13,14) Image of MNXM145802
SMILES (mnx)[CH3:1][C:8]1=[C:9]2[CH:5]=[CH:3][CH:7]=[C:11]([C:12](=[O:13])[OH:14])[C:10]2=[CH:6][CH:2]=[CH:4]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:78251
chebi:78251
VLEZTIKHFUAVRK-UHFFFAOYSA-M
5-methyl-1-naphthoate
5-methylnaphthalene-1-carboxylate

kegg.compound:C20803
keggC:C20803
VLEZTIKHFUAVRK-UHFFFAOYSA-N
5-Methyl-1-naphthoate

seed.compound:cpd31362
seedM:cpd31362
VLEZTIKHFUAVRK-UHFFFAOYSA-M
5-Methyl-1-naphthoate
5-methyl-1-naphthoate
5-methyl-1-naphthoic acid

metacyc.compound:CPD-16514
metacycM:CPD-16514
VLEZTIKHFUAVRK-UHFFFAOYSA-M
5-methyl-1-naphthoate
5-methyl-1-naphthoic acid

CHEBI:79082
chebi:79082
VLEZTIKHFUAVRK-UHFFFAOYSA-N
5-methyl-1-naphthoic acid
5-methylnaphthalene-1-carboxylic acid

keggC:M_C20803
seedM:M_cpd31362
secondary/obsolete/fantasy identifier