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214758-41-5
2-(1,3-BENZODIOXOL-5-YLOXY)NICOTINIC ACID
Name
2-(1,3-BENZODIOXOL-5-YLOXY)NICOTINIC ACID
Formula
C13 H9 N O5
MolWeight
259.216
1Identification
【Name】
2-(1,3-BENZODIOXOL-5-YLOXY)NICOTINIC ACID
【CAS】
【MDL】
MFCD01313711
【English Synonyms】
【Formula】
C13 H9 N O5
【MolWeight】
259.216
【Inchi】
InChI=1S/C13H9NO5/c15-13(16)9-2-1-5-14-12(9)19-8-3-4-10-11(6-8)18-7-17-10/h1-6H,7H2,(H,15,16)
【InChIKey】
InChIKey=HXXHQOGRXQVZCN-UHFFFAOYSA-N
【SMILES】
c1cc(c(nc1)Oc2ccc3c(c2)OCO3)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-(1,3-BENZODIOXOL-5-YLOXY)NICOTINIC ACID.cml
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