904814-30-8
(3Z)-4-HYDROXY-4-(3-NITROPHENYL)-2-OXOBUT-3-ENOIC ACID
Name(3Z)-4-HYDROXY-4-(3-NITROPHENYL)-2-OXOBUT-3-ENOIC ACID
1Identification
【Name】
(3Z)-4-HYDROXY-4-(3-NITROPHENYL)-2-OXOBUT-3-ENOIC ACID
【CAS】
【MDL】
MFCD06245422
【English Synonyms】
【Formula】
C10 H7 N O6
【MolWeight】
237.166
【Inchi】
InChI=1S/C10H7NO6/c12-8(5-9(13)10(14)15)6-2-1-3-7(4-6)11(16)17/h1-5,12H,(H,14,15)/b8-5-
【InChIKey】
InChIKey=DBNMRWDKCSKCOM-YVMONPNESA-N
【SMILES】
c1cc(cc(c1)[N+](=O)[O-])/C(=C/C(=O)C(=O)O)/O
【MOL File】
(3Z)-4-HYDROXY-4-(3-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(3Z)-4-HYDROXY-4-(3-NITROPHENYL)-2-OXOBUT-3-ENOIC ACID.cml