952183-20-9
2-[2-(TERT-BUTOXYCARBONYL)TETRAHYDRO-1(2H)-PYRIDAZINYL]-2-PHENYLACETIC ACID
Name2-[2-(TERT-BUTOXYCARBONYL)TETRAHYDRO-1(2H)-PYRIDAZINYL]-2-PHENYLACETIC ACID
1Identification
【Name】
2-[2-(TERT-BUTOXYCARBONYL)TETRAHYDRO-1(2H)-PYRIDAZINYL]-2-PHENYLACETIC ACID
【CAS】
【MDL】
MFCD09817429
【English Synonyms】
【Formula】
C17 H24 N2 O4
【MolWeight】
320.387
【Inchi】
InChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)19-12-8-7-11-18(19)14(15(20)21)13-9-5-4-6-10-13/h4-6,9-10,14H,7-8,11-12H2,1-3H3,(H,20,21)
【InChIKey】
InChIKey=RLHAFQHEBBLIGL-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCCCN1C(c2ccccc2)C(=O)O
【MOL File】
2-[2-(TERT-BUTOXYCAR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-[2-(TERT-BUTOXYCARBONYL)TETRAHYDRO-1(2H)-PYRIDAZINYL]-2-PHENYLACETIC ACID.cml