855912-40-2
HEXANOIC ACID, 4-HYDROXY-2,3-DIOXO-,-GAMMA-LACTONE, 2-PHENYLHYDRAZONE
NameHEXANOIC ACID, 4-HYDROXY-2,3-DIOXO-,-GAMMA-LACTONE, 2-PHENYLHYDRAZONE
1Identification
【Name】
HEXANOIC ACID, 4-HYDROXY-2,3-DIOXO-,-GAMMA-LACTONE, 2-PHENYLHYDRAZONE
【CAS】
【MDL】
MFCD17018035
【English Synonyms】
【Formula】
C12 H12 N2 O3
【MolWeight】
232.238
【Inchi】
InChI=1S/C12H12N2O3/c1-2-9-11(15)10(12(16)17-9)14-13-8-6-4-3-5-7-8/h3-7,9,13H,2H2,1H3/b14-10+
【InChIKey】
InChIKey=BBXSLUNZXPQSCE-GXDHUFHOSA-N
【SMILES】
CCC1C(=O)/C(=N\Nc2ccccc2)/C(=O)O1
【MOL File】
HEXANOIC ACID, 4-HYD….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
HEXANOIC ACID, 4-HYDROXY-2,3-DIOXO-,-GAMMA-LACTONE, 2-PHENYLHYDRAZONE.cml