53476-71-4
6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA[D]PYRIMIDINE-2,4-DIOL
Name6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA[D]PYRIMIDINE-2,4-DIOL
1Identification
【Name】
6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA[D]PYRIMIDINE-2,4-DIOL
【CAS】
【MDL】
MFCD09966079
【English Synonyms】
【Formula】
C9 H12 N2 O2
【MolWeight】
180.206
【Inchi】
InChI=1S/C9H12N2O2/c12-8-6-4-2-1-3-5-7(6)10-9(13)11-8/h1-5H2,(H2,10,11,12,13)
【InChIKey】
InChIKey=PXILTEYPVYROAH-UHFFFAOYSA-N
【SMILES】
C1CCc2c(nc(nc2O)O)CC1
【MOL File】
6,7,8,9-TETRAHYDRO-5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA[D]PYRIMIDINE-2,4-DIOL.cml