574-77-6
PAPAVEROLINE
Name
PAPAVEROLINE
Formula
C16 H13 N O4
MolWeight
283.282
1Identification
【Name】
PAPAVEROLINE
【CAS】
【MDL】
MFCD00867192
【English Synonyms】
【Formula】
C16 H13 N O4
【MolWeight】
283.282
【Inchi】
InChI=1S/C16H13NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-4,6-8,18-21H,5H2
【InChIKey】
InChIKey=MXQKCNCLQIHHJA-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1Cc2c3cc(c(cc3ccn2)O)O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PAPAVEROLINE.cml
Quick Release
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