89418-30-4
1,5,7,8-TETRAHYDRO-7-HYDROXY-2,6-PTERIDINEDIONE
Name1,5,7,8-TETRAHYDRO-7-HYDROXY-2,6-PTERIDINEDIONE
1Identification
【Name】
1,5,7,8-TETRAHYDRO-7-HYDROXY-2,6-PTERIDINEDIONE
【CAS】
【MDL】
MFCD18812767
【English Synonyms】
【Formula】
C6 H6 N4 O3
【MolWeight】
182.138
【Inchi】
InChI=1S/C6H6N4O3/c11-4-5(12)9-3-2(8-4)1-7-6(13)10-3/h1,5,12H,(H,8,11)(H2,7,9,10,13)
【InChIKey】
InChIKey=PHMWRCYNACXJTG-UHFFFAOYSA-N
【SMILES】
c1c2c([nH]c(=O)n1)NC(C(=O)N2)O
【MOL File】
1,5,7,8-TETRAHYDRO-7….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:7
XLogP3:-4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,5,7,8-TETRAHYDRO-7-HYDROXY-2,6-PTERIDINEDIONE.cml