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801986-71-0

801986-71-0 | Cyclopent[ij]isoquinolin-7(1H)-one, 2,3,8,8a-tetrahydro-5,6-dihydroxy-1-methyl- (8CI)

CAS No: 801986-71-0 Catalog No: AG00GO03 MDL No:

Product Description

Catalog Number:
AG00GO03
Chemical Name:
Cyclopent[ij]isoquinolin-7(1H)-one, 2,3,8,8a-tetrahydro-5,6-dihydroxy-1-methyl- (8CI)
CAS Number:
801986-71-0
IUPAC Name:
10,11-dihydroxy-5-methyl-5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-2-one
InChI:
InChI=1S/C12H13NO3/c1-13-3-2-6-4-9(15)12(16)11-8(14)5-7(13)10(6)11/h4,7,15-16H,2-3,5H2,1H3
InChI Key:
QJZXVGUIICOKKV-UHFFFAOYSA-N

Properties

Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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