915921-00-5
3-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YLSULFANYL)PROPANOIC ACID
Name
3-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YLSULFANYL)PROPANOIC ACID
Formula
C11 H12 O4 S
MolWeight
240.278
1Identification
【Name】
3-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YLSULFANYL)PROPANOIC ACID
【CAS】
【MDL】
MFCD08691814
【English Synonyms】
【Formula】
C11 H12 O4 S
【MolWeight】
240.278
【Inchi】
InChI=1S/C11H12O4S/c12-11(13)3-6-16-8-1-2-9-10(7-8)15-5-4-14-9/h1-2,7H,3-6H2,(H,12,13)
【InChIKey】
InChIKey=LMJJCUHBJIXUHM-UHFFFAOYSA-N
【SMILES】
c1cc2c(cc1SCCC(=O)O)OCCO2
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YLSULFANYL)PROPANOIC ACID.cml
Quick Release
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Country/Region:Ukraine
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