50741-81-6
N-(5-METHYL-3-ADAMANTYLCARBONYL)ANTHRANILIC ACID
NameN-(5-METHYL-3-ADAMANTYLCARBONYL)ANTHRANILIC ACID
1Identification
【Name】
N-(5-METHYL-3-ADAMANTYLCARBONYL)ANTHRANILIC ACID
【CAS】
【MDL】
MFCD01675237
【English Synonyms】
【Formula】
C19 H23 N O3
【MolWeight】
313.395
【Inchi】
InChI=1S/C19H23NO3/c1-18-7-12-6-13(8-18)10-19(9-12,11-18)17(23)20-15-5-3-2-4-14(15)16(21)22/h2-5,12-13H,6-11H2,1H3,(H,20,23)(H,21,22)/t12-,13+,18-,19-
【InChIKey】
InChIKey=QKDPNEKQTPDOSD-CPYAMGESSA-N
【SMILES】
C[C@@]12C[C@H]3C[C@@H](C1)C[C@](C3)(C2)C(=O)Nc4ccccc4C(=O)O
【MOL File】
N-(5-METHYL-3-ADAMAN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(5-METHYL-3-ADAMANTYLCARBONYL)ANTHRANILIC ACID.cml