915921-34-5
4-METHYL-3-(PENTANOYLAMINO)BENZOIC ACID
Name4-METHYL-3-(PENTANOYLAMINO)BENZOIC ACID
1Identification
【Name】
4-METHYL-3-(PENTANOYLAMINO)BENZOIC ACID
【CAS】
【MDL】
MFCD08569896
【EnglishSynonyms】
【pro_formula】
C13 H17 N O3
【pro_molWeight】
235.281
【Inchi】
InChI=1S/C13H17NO3/c1-3-4-5-12(15)14-11-8-10(13(16)17)7-6-9(11)2/h6-8H,3-5H2,1-2H3,(H,14,15)(H,16,17)
【InChIKey】
InChIKey=KGWLPOUJWIZHEV-UHFFFAOYSA-N
【SMILES】
CCCCC(=O)Nc1cc(ccc1C)C(=O)O
【MOL File】
4-METHYL-3-(PENTANOY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:4
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-METHYL-3-(PENTANOYLAMINO)BENZOIC ACID.cml