137150-48-2
BUTANOIC ACID, 4-(2-HYDROXY-5-(1-OXOPROPYL)PHENOXY)-
NameBUTANOIC ACID, 4-(2-HYDROXY-5-(1-OXOPROPYL)PHENOXY)-
1Identification
【Name】
BUTANOIC ACID, 4-(2-HYDROXY-5-(1-OXOPROPYL)PHENOXY)-
【CAS】
【MDL】
MFCD00508281
【English Synonyms】
【Formula】
C13 H16 O5
【MolWeight】
252.264
【Inchi】
InChI=1S/C13H16O5/c1-2-10(14)9-5-6-11(15)12(8-9)18-7-3-4-13(16)17/h5-6,8,15H,2-4,7H2,1H3,(H,16,17)
【InChIKey】
InChIKey=XKCVVOLOBWRONO-UHFFFAOYSA-N
【SMILES】
CCC(=O)c1ccc(c(c1)OCCCC(=O)O)O
【MOL File】
BUTANOIC ACID, 4-(2-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BUTANOIC ACID, 4-(2-HYDROXY-5-(1-OXOPROPYL)PHENOXY)-.cml