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475242-55-8 | 1(2H)-Isoquinolinone,3-ethyl-4-propyl-(9CI)
CAS No: 475242-55-8 Catalog No: AG00DXGY MDL No:
Product Description
Catalog Number:
AG00DXGY
Chemical Name:
1(2H)-Isoquinolinone,3-ethyl-4-propyl-(9CI)
CAS Number:
475242-55-8
IUPAC Name:
3-ethyl-4-propyl-2H-isoquinolin-1-one
InChI:
InChI=1S/C14H17NO/c1-3-7-11-10-8-5-6-9-12(10)14(16)15-13(11)4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,16)
InChI Key:
JPUHVBGSKVRCBZ-UHFFFAOYSA-N
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.296g/mol
Monoisotopic Mass:
215.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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