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125030-80-0 | 1(2H)-Isoquinolinone,2-(2-propynyl)-(9CI)
CAS No: 125030-80-0 Catalog No: AG00AHJX MDL No:
Product Description
Catalog Number:
AG00AHJX
Chemical Name:
1(2H)-Isoquinolinone,2-(2-propynyl)-(9CI)
CAS Number:
125030-80-0
IUPAC Name:
2-prop-2-ynylisoquinolin-1-one
InChI:
InChI=1S/C12H9NO/c1-2-8-13-9-7-10-5-3-4-6-11(10)12(13)14/h1,3-7,9H,8H2
InChI Key:
KOZJGHVVRNSSIZ-UHFFFAOYSA-N
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.068g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.21g/mol
Monoisotopic Mass:
183.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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