178462-00-5
4-(HYDROXYIMINO)-4-(2-HYDROXY-5-METHYLPHENYL)BUTANOIC ACID
Name4-(HYDROXYIMINO)-4-(2-HYDROXY-5-METHYLPHENYL)BUTANOIC ACID
1Identification
【Name】
4-(HYDROXYIMINO)-4-(2-HYDROXY-5-METHYLPHENYL)BUTANOIC ACID
【CAS】
【MDL】
MFCD01104785
【English Synonyms】
【Formula】
C11 H13 N O4
【MolWeight】
223.227
【Inchi】
InChI=1S/C11H13NO4/c1-7-2-4-10(13)8(6-7)9(12-16)3-5-11(14)15/h2,4,6,13,16H,3,5H2,1H3,(H,14,15)/b12-9+
【InChIKey】
InChIKey=HWVIVTWXKCSQBG-FMIVXFBMSA-N
【SMILES】
Cc1ccc(c(c1)/C(=N/O)/CCC(=O)O)O
【MOL File】
4-(HYDROXYIMINO)-4-(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(HYDROXYIMINO)-4-(2-HYDROXY-5-METHYLPHENYL)BUTANOIC ACID.cml