915923-72-7
3-[(2,2-DIMETHYLPROPANOYL)AMINO]-4-METHYLBENZOIC ACID
Name3-[(2,2-DIMETHYLPROPANOYL)AMINO]-4-METHYLBENZOIC ACID
1Identification
【Name】
3-[(2,2-DIMETHYLPROPANOYL)AMINO]-4-METHYLBENZOIC ACID
【CAS】
【MDL】
MFCD08692001
【EnglishSynonyms】
【pro_formula】
C13 H17 N O3
【pro_molWeight】
235.281
【Inchi】
InChI=1S/C13H17NO3/c1-8-5-6-9(11(15)16)7-10(8)14-12(17)13(2,3)4/h5-7H,1-4H3,(H,14,17)(H,15,16)
【InChIKey】
InChIKey=XTJFPDDBFZQSKY-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1NC(=O)C(C)(C)C)C(=O)O
【MOL File】
3-[(2,2-DIMETHYLPROP….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:4
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-[(2,2-DIMETHYLPROPANOYL)AMINO]-4-METHYLBENZOIC ACID.cml