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87166-93-6 | Pyrrolo[1,2-b]isoquinolin-5(1H)-one, 2,3,10,10a-tetrahydro-
CAS No: 87166-93-6 Catalog No: AG004KDT MDL No:
Product Description
Catalog Number:
AG004KDT
Chemical Name:
Pyrrolo[1,2-b]isoquinolin-5(1H)-one, 2,3,10,10a-tetrahydro-
CAS Number:
87166-93-6
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
IUPAC Name:
2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one
InChI:
InChI=1S/C12H13NO/c14-12-11-6-2-1-4-9(11)8-10-5-3-7-13(10)12/h1-2,4,6,10H,3,5,7-8H2
InChI Key:
OSIRQNZHIHGLNT-UHFFFAOYSA-N
SMILES:
O=C1N2CCCC2Cc2c1cccc2
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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