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30562-55-1 | 1(2H)-Isoquinolinone, 3,4-dihydro-2-(2-phenylethyl)-
CAS No: 30562-55-1 Catalog No: AG0030KL MDL No:
Product Description
Catalog Number:
AG0030KL
Chemical Name:
1(2H)-Isoquinolinone, 3,4-dihydro-2-(2-phenylethyl)-
CAS Number:
30562-55-1
Molecular Formula:
C17H17NO
Molecular Weight:
251.3230
IUPAC Name:
2-(2-phenylethyl)-3,4-dihydroisoquinolin-1-one
InChI:
InChI=1S/C17H17NO/c19-17-16-9-5-4-8-15(16)11-13-18(17)12-10-14-6-2-1-3-7-14/h1-9H,10-13H2
InChI Key:
PUUSHERYKMKMNL-UHFFFAOYSA-N
SMILES:
O=C1N(CCc2ccccc2)CCc2c1cccc2
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.329g/mol
Monoisotopic Mass:
251.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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