573981-61-0
PENTANOIC ACID, (3,5-DIHYDROXYPHENYL)METHYL ESTER
NamePENTANOIC ACID, (3,5-DIHYDROXYPHENYL)METHYL ESTER
1Identification
【Name】
PENTANOIC ACID, (3,5-DIHYDROXYPHENYL)METHYL ESTER
【CAS】
【MDL】
MFCD18974211
【English Synonyms】
【Formula】
C12 H16 O4
【MolWeight】
224.254
【Inchi】
InChI=1S/C12H16O4/c1-2-3-4-12(15)16-8-9-5-10(13)7-11(14)6-9/h5-7,13-14H,2-4,8H2,1H3
【InChIKey】
InChIKey=DOHOZOMWVBUZCC-UHFFFAOYSA-N
【SMILES】
CCCCC(=O)OCc1cc(cc(c1)O)O
【MOL File】
PENTANOIC ACID, (3,5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PENTANOIC ACID, (3,5-DIHYDROXYPHENYL)METHYL ESTER.cml