915921-64-1
3-[(3,3-DIMETHYLBUTANOYL)AMINO]-4-METHYLBENZOIC ACID
Name3-[(3,3-DIMETHYLBUTANOYL)AMINO]-4-METHYLBENZOIC ACID
1Identification
【Name】
3-[(3,3-DIMETHYLBUTANOYL)AMINO]-4-METHYLBENZOIC ACID
【CAS】
【MDL】
MFCD08569895
【English Synonyms】
【Formula】
C14 H19 N O3
【MolWeight】
249.308
【Inchi】
InChI=1S/C14H19NO3/c1-9-5-6-10(13(17)18)7-11(9)15-12(16)8-14(2,3)4/h5-7H,8H2,1-4H3,(H,15,16)(H,17,18)
【InChIKey】
InChIKey=IQZBVCIRKSIHQY-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1NC(=O)CC(C)(C)C)C(=O)O
【MOL File】
3-[(3,3-DIMETHYLBUTA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-[(3,3-DIMETHYLBUTANOYL)AMINO]-4-METHYLBENZOIC ACID.cml