55255-96-4
4-METHYL-8-(HYDROXYMETHYL)-6-OXA-3-AZABICYCLO[3.2.1]OCTA-1(8),2,4-TRIENE-7-ONE
Name4-METHYL-8-(HYDROXYMETHYL)-6-OXA-3-AZABICYCLO[3.2.1]OCTA-1(8),2,4-TRIENE-7-ONE
1Identification
【Name】
4-METHYL-8-(HYDROXYMETHYL)-6-OXA-3-AZABICYCLO[3.2.1]OCTA-1(8),2,4-TRIENE-7-ONE
【CAS】
【MDL】
MFCD21608969
【English Synonyms】
【Formula】
C8 H7 N O3
【MolWeight】
165.147
【Inchi】
InChI=1S/C8H7NO3/c1-4-7-6(3-10)5(2-9-4)8(11)12-7/h2,10H,3H2,1H3
【InChIKey】
InChIKey=UIDBDSROYHBCGC-UHFFFAOYSA-N
【SMILES】
Cc1c2c(c(cn1)C(=O)O2)CO
【MOL File】
4-METHYL-8-(HYDROXYM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYL-8-(HYDROXYMETHYL)-6-OXA-3-AZABICYCLO[3.2.1]OCTA-1(8),2,4-TRIENE-7-ONE.cml