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p-cumate

Properties

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Occurences in reactions

MNX_ID

MNXM4764

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₁₀H₁₁O₂

charge

-1

mass

163.07645

reference

InChIKey

CKMXAIVXVKGGFM-UHFFFAOYSA-M

InChI

InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)/p-1

SMILES

CC(C)c1ccc(C(=O)[O-])cc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:25822 chebi:25822	p-cumate 4-(1-methylethyl)benzoate 4-(propan-2-yl)benzoate 4-isopropylbenzoate p-Cumate
hmdb:HMDB0035268	4-Isopropylbenzoic acid 4-(1-Methylethyl)-benzoic acid 4-(1-Methylethyl)benzoate 4-(1-Methylethyl)benzoic acid 4-(1-Methylethyl)benzoic acid, 9ci 4-(Propan-2-yl)benzoic acid 4-(propan-2-yl)benzoic acid 4-Isopropylbenzoate 4-isopropylbenzoic acid Benzoic acid, p-isopropyl- (8ci) Cumate Cumic acid Cuminate Cuminic acid p-Cumate p-Cumic acid p-Isopropyl-benzoic acid p-Isopropylbenzoate p-Isopropylbenzoic acid
envipath:...c708d91faf3e envipathM:...c708d91faf3e kegg.compound:C06578 keggC:C06578	p-Cumate
seed.compound:cpd03985 seedM:cpd03985	p-Cumate 4-isopropylbenzoate 4-isopropylbenzoic acid cuminic acid p-cumate
metacyc.compound:CPD-1004 metacycM:CPD-1004	p-cumate 4-isopropylbenzoate 4-isopropylbenzoic acid cuminic acid
CHEBI:28122 chebi:28122	p-cumic acid 4-(1-Methylethyl)benzoic acid 4-(propan-2-yl)benzoic acid 4-Isopropylbenzoic acid 4-propan-2-ylbenzoic acid Cumic acid Cuminic acid p-Isopropylbenzoic acid
hmdb:HMDB35268 chebi:10621 chebi:23411 keggC:M_C06578 seedM:M_cpd03985	secondary/obsolete/fantasy identifier