400081-61-0
4-HYDROXY-1-ISOPROPYL-2-OXO-2,5-DIHYDRO-1H-PYRROLE-3-CARBONITRILE
Name4-HYDROXY-1-ISOPROPYL-2-OXO-2,5-DIHYDRO-1H-PYRROLE-3-CARBONITRILE
1Identification
【Name】
4-HYDROXY-1-ISOPROPYL-2-OXO-2,5-DIHYDRO-1H-PYRROLE-3-CARBONITRILE
【CAS】
【MDL】
MFCD00232677
【English Synonyms】
【Formula】
C8 H10 N2 O2
【MolWeight】
166.179
【Inchi】
InChI=1S/C8H10N2O2/c1-5(2)10-4-7(11)6(3-9)8(10)12/h5,11H,4H2,1-2H3
【InChIKey】
InChIKey=BAXHHZIFYAWFKO-UHFFFAOYSA-N
【SMILES】
CC(C)N1CC(=C(C1=O)C#N)O
【MOL File】
4-HYDROXY-1-ISOPROPY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-HYDROXY-1-ISOPROPYL-2-OXO-2,5-DIHYDRO-1H-PYRROLE-3-CARBONITRILE.cml