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524950-94-5 | Pyrrolo[2,1-a]isoquinolin-3(2H)-one, 1,5,6,10b-tetrahydro-1,2-dihydroxy-, (1R,2R,10bS)- (9CI)
CAS No: 524950-94-5 Catalog No: AG00E7ZB MDL No:
Product Description
Catalog Number:
AG00E7ZB
Chemical Name:
Pyrrolo[2,1-a]isoquinolin-3(2H)-one, 1,5,6,10b-tetrahydro-1,2-dihydroxy-, (1R,2R,10bS)- (9CI)
CAS Number:
524950-94-5
IUPAC Name:
(1R,2R,10bS)-1,2-dihydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
InChI:
InChI=1S/C12H13NO3/c14-10-9-8-4-2-1-3-7(8)5-6-13(9)12(16)11(10)15/h1-4,9-11,14-15H,5-6H2/t9-,10+,11+/m0/s1
InChI Key:
LHMJWBVMTMUYPX-HBNTYKKESA-N
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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