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952587-39-2 | 7-Vinyl-3,4-dihydroisoquinolin-1(2H)-one
CAS No: 952587-39-2 Catalog No: AG00IIWE MDL No:
Product Description
Catalog Number:
AG00IIWE
Chemical Name:
7-Vinyl-3,4-dihydroisoquinolin-1(2H)-one
CAS Number:
952587-39-2
IUPAC Name:
7-ethenyl-3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C11H11NO/c1-2-8-3-4-9-5-6-12-11(13)10(9)7-8/h2-4,7H,1,5-6H2,(H,12,13)
InChI Key:
ZGQYFSNMZOTICE-UHFFFAOYSA-N
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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