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917884-94-7 | 2H-Pyrano[2,3-h]isoquinolin-1(8H)-one, 3,4-dihydro-
CAS No: 917884-94-7 Catalog No: AG006NO3 MDL No:
Product Description
Catalog Number:
AG006NO3
Chemical Name:
2H-Pyrano[2,3-h]isoquinolin-1(8H)-one, 3,4-dihydro-
CAS Number:
917884-94-7
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
IUPAC Name:
2,3,4,8-tetrahydropyrano[2,3-h]isoquinolin-1-one
InChI:
InChI=1S/C12H11NO2/c14-12-11-8(5-6-13-12)3-4-10-9(11)2-1-7-15-10/h1-4H,5-7H2,(H,13,14)
InChI Key:
IUTOPGDVYVAGPB-UHFFFAOYSA-N
SMILES:
O=C1NCCc2c1c1C=CCOc1cc2
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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