213024-57-8
5-(4-HYDROXYMETHYL-3-METHOXYPHENOXY)VALERIC ACID
Name5-(4-HYDROXYMETHYL-3-METHOXYPHENOXY)VALERIC ACID
1Identification
【Name】
5-(4-HYDROXYMETHYL-3-METHOXYPHENOXY)VALERIC ACID
【CAS】
【MDL】
MFCD00800290
【English Synonyms】
【Formula】
C13 H18 O5
【MolWeight】
254.28
【Inchi】
InChI=1S/C13H18O5/c1-17-12-8-11(6-5-10(12)9-14)18-7-3-2-4-13(15)16/h5-6,8,14H,2-4,7,9H2,1H3,(H,15,16)
【InChIKey】
InChIKey=RHWJMSPTWIEGII-UHFFFAOYSA-N
【SMILES】
COc1cc(ccc1CO)OCCCCC(=O)O
【MOL File】
5-(4-HYDROXYMETHYL-3….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
5-(4-HYDROXYMETHYL-3-METHOXYPHENOXY)VALERIC ACID.cml