91184-15-5
1,3,4,5-TETRAHYDRO-4-HYDROXY-2,6-PTERIDINEDIONE
Name1,3,4,5-TETRAHYDRO-4-HYDROXY-2,6-PTERIDINEDIONE
1Identification
【Name】
1,3,4,5-TETRAHYDRO-4-HYDROXY-2,6-PTERIDINEDIONE
【CAS】
【MDL】
MFCD18812766
【English Synonyms】
【Formula】
C6 H6 N4 O3
【MolWeight】
182.138
【Inchi】
InChI=1S/C6H6N4O3/c11-2-1-7-4-3(8-2)5(12)10-6(13)9-4/h1,5,12H,(H,8,11)(H2,7,9,10,13)
【InChIKey】
InChIKey=NTNCDLUGSFSOAQ-UHFFFAOYSA-N
【SMILES】
c1c(=O)[nH]c2c(n1)NC(=O)NC2O
【MOL File】
1,3,4,5-TETRAHYDRO-4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:7
XLogP3:-3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,3,4,5-TETRAHYDRO-4-HYDROXY-2,6-PTERIDINEDIONE.cml