139558-51-3
2-[(TERT-BUTOXY)CARBONYLAMINO]-3-(2,6-DIMETHYLPHENYL)PROPANOIC ACID
Name2-[(TERT-BUTOXY)CARBONYLAMINO]-3-(2,6-DIMETHYLPHENYL)PROPANOIC ACID
1Identification
【Name】
2-[(TERT-BUTOXY)CARBONYLAMINO]-3-(2,6-DIMETHYLPHENYL)PROPANOIC ACID
【CAS】
【MDL】
MFCD02684474
【English Synonyms】
【Formula】
C16 H23 N O4
【MolWeight】
293.361
【Inchi】
InChI=1S/C16H23NO4/c1-10-7-6-8-11(2)12(10)9-13(14(18)19)17-15(20)21-16(3,4)5/h6-8,13H,9H2,1-5H3,(H,17,20)(H,18,19)
【InChIKey】
InChIKey=KJGYCJMJZYLARL-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1CC(C(=O)O)NC(=O)OC(C)(C)C)C
【MOL File】
2-[(TERT-BUTOXY)CARB….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-[(TERT-BUTOXY)CARBONYLAMINO]-3-(2,6-DIMETHYLPHENYL)PROPANOIC ACID.cml