590409-82-8
4-(HYDROXYMETHYL)-1-METHYL-1H-PYRROLE-2-CARBONITRILE
Name4-(HYDROXYMETHYL)-1-METHYL-1H-PYRROLE-2-CARBONITRILE
1Identification
【Name】
4-(HYDROXYMETHYL)-1-METHYL-1H-PYRROLE-2-CARBONITRILE
【CAS】
【MDL】
MFCD18810158
【English Synonyms】
【Formula】
C7 H8 N2 O
【MolWeight】
136.153
【Inchi】
InChI=1S/C7H8N2O/c1-9-4-6(5-10)2-7(9)3-8/h2,4,10H,5H2,1H3
【InChIKey】
InChIKey=QRHVEJLBFMWIFP-UHFFFAOYSA-N
【SMILES】
Cn1cc(cc1C#N)CO
【MOL File】
4-(HYDROXYMETHYL)-1-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(HYDROXYMETHYL)-1-METHYL-1H-PYRROLE-2-CARBONITRILE.cml