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31267-07-9 | 2',3'-dihydro-1'H-spiro[cyclopropane-1,4'-isoquinoline]-1',3'-dione
CAS No: 31267-07-9 Catalog No: AG01AD1E MDL No:MFCD20728223
Product Description
Catalog Number:
AG01AD1E
Chemical Name:
2',3'-dihydro-1'H-spiro[cyclopropane-1,4'-isoquinoline]-1',3'-dione
CAS Number:
31267-07-9
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
MDL Number:
MFCD20728223
IUPAC Name:
spiro[cyclopropane-1,4'-isoquinoline]-1',3'-dione
InChI:
InChI=1S/C11H9NO2/c13-9-7-3-1-2-4-8(7)11(5-6-11)10(14)12-9/h1-4H,5-6H2,(H,12,13,14)
InChI Key:
GLVMLLRAWVMDQC-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)c2c(C31CC3)cccc2
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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