807320-43-0
CIS-1'-OXO-SPIRO[CYCLOHEXANE-1,3'(1'H)-FURO[3,4-C]PYRIDINE]-4-CARBOXYLIC ACID
Name
CIS-1'-OXO-SPIRO[CYCLOHEXANE-1,3'(1'H)-FURO[3,4-C]PYRIDINE]-4-CARBOXYLIC ACID
Formula
C13 H13 N O4
MolWeight
247.249
1Identification
【Name】
CIS-1'-OXO-SPIRO[CYCLOHEXANE-1,3'(1'H)-FURO[3,4-C]PYRIDINE]-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD13194979
【English Synonyms】
【Formula】
C13 H13 N O4
【MolWeight】
247.249
【Inchi】
InChI=1S/C13H13NO4/c15-11(16)8-1-4-13(5-2-8)10-7-14-6-3-9(10)12(17)18-13/h3,6-8H,1-2,4-5H2,(H,15,16)/t8-,13+
【InChIKey】
InChIKey=PJCKCWRHRYXELD-KTLJEJPDSA-N
【SMILES】
c1cncc2c1C(=O)O[C@]23CC[C@H](CC3)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CIS-1'-OXO-SPIRO[CYCLOHEXANE-1,3'(1'H)-FURO[3,4-C]PYRIDINE]-4-CARBOXYLIC ACID.cml
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