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917884-95-8 | 1(2H)-Isoquinolinone, 3,4-dihydro-7-(2-propyn-1-yloxy)-
CAS No: 917884-95-8 Catalog No: AG006C13 MDL No:
Product Description
Catalog Number:
AG006C13
Chemical Name:
1(2H)-Isoquinolinone, 3,4-dihydro-7-(2-propyn-1-yloxy)-
CAS Number:
917884-95-8
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
IUPAC Name:
7-prop-2-ynoxy-3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C12H11NO2/c1-2-7-15-10-4-3-9-5-6-13-12(14)11(9)8-10/h1,3-4,8H,5-7H2,(H,13,14)
InChI Key:
ONZNCHXLABWRKR-UHFFFAOYSA-N
SMILES:
C#CCOc1ccc2c(c1)C(=O)NCC2
Properties
Complexity:
291
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:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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