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10579-63-2

10579-63-2 | 2-Propen-1-one,1-(3,4-dihydro-2(1H)-isoquinolinyl)-2-methyl-

CAS No: 10579-63-2 Catalog No: AG00853O MDL No:

Product Description

Catalog Number:
AG00853O
Chemical Name:
2-Propen-1-one,1-(3,4-dihydro-2(1H)-isoquinolinyl)-2-methyl-
CAS Number:
10579-63-2
Molecular Formula:
C13H15NO
Molecular Weight:
201.2643
IUPAC Name:
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylprop-2-en-1-one
InChI:
InChI=1S/C13H15NO/c1-10(2)13(15)14-8-7-11-5-3-4-6-12(11)9-14/h3-6H,1,7-9H2,2H3
InChI Key:
LSWRJXFXUHBUGH-UHFFFAOYSA-N
SMILES:
CC(=C)C(=O)N1CCc2c(C1)cccc2
NSC Number:
90967

Properties

Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.115g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.269g/mol
Monoisotopic Mass:
201.115g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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