643743-39-9
9-CYANOMETHYL-8-FLUORO-3-METHYL-6-OXO-2,3-DIHYDRO-6H-1-OXA-3A-AZA-PHENALENE-5-CARBOXYLIC ACID
Name
9-CYANOMETHYL-8-FLUORO-3-METHYL-6-OXO-2,3-DIHYDRO-6H-1-OXA-3A-AZA-PHENALENE-5-CARBOXYLIC ACID
Formula
C15 H11 F N2 O4
MolWeight
302.26
1Identification
【Name】
9-CYANOMETHYL-8-FLUORO-3-METHYL-6-OXO-2,3-DIHYDRO-6H-1-OXA-3A-AZA-PHENALENE-5-CARBOXYLIC ACID
【CAS】
176760-98-8
;643743-39-9
【MDL】
MFCD08458275
【English Synonyms】
【Formula】
C15 H11 F N2 O4
【MolWeight】
302.26
【Inchi】
InChI=1S/C15H11FN2O4/c1-7-6-22-14-8(2-3-17)11(16)4-9-12(14)18(7)5-10(13(9)19)15(20)21/h4-5,7H,2,6H2,1H3,(H,20,21)
【InChIKey】
InChIKey=QUJCKRUSTOSCPX-UHFFFAOYSA-N
【SMILES】
CC1COc2c(c(cc3c2n1cc(c3=O)C(=O)O)F)CC#N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
9-CYANOMETHYL-8-FLUORO-3-METHYL-6-OXO-2,3-DIHYDRO-6H-1-OXA-3A-AZA-PHENALENE-5-CARBOXYLIC ACID.cml
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Country/Region:United States
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http://www.aconpharm.org
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Business Type:Others
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