56053-56-6
3,8-DIOXO-2,3,5,6,7,8-HEXAHYDROISOQUINOLINE-4-CARBONITRILE
Name
3,8-DIOXO-2,3,5,6,7,8-HEXAHYDROISOQUINOLINE-4-CARBONITRILE
Formula
C10 H8 N2 O2
MolWeight
188.185
1Identification
【Name】
3,8-DIOXO-2,3,5,6,7,8-HEXAHYDROISOQUINOLINE-4-CARBONITRILE
【CAS】
【MDL】
MFCD18761960
【English Synonyms】
【Formula】
C10 H8 N2 O2
【MolWeight】
188.185
【Inchi】
InChI=1S/C10H8N2O2/c11-4-7-6-2-1-3-9(13)8(6)5-12-10(7)14/h5H,1-3H2,(H,12,14)
【InChIKey】
InChIKey=UWKBETKFDVPXOQ-UHFFFAOYSA-N
【SMILES】
c1c2c(c(c(=O)[nH]1)C#N)CCCC2=O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,8-DIOXO-2,3,5,6,7,8-HEXAHYDROISOQUINOLINE-4-CARBONITRILE.cml
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Country/Region:China
Business Type:Trading Company
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Business Type:Trading Company
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