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164147-66-4 | 1(2H)-Isoquinolinone, 3,4-dihydro-6-(phenylmethoxy)-
CAS No: 164147-66-4 Catalog No: AG001UO6 MDL No:
Product Description
Catalog Number:
AG001UO6
Chemical Name:
1(2H)-Isoquinolinone, 3,4-dihydro-6-(phenylmethoxy)-
CAS Number:
164147-66-4
Molecular Formula:
C16H15NO2
Molecular Weight:
253.2958
IUPAC Name:
6-phenylmethoxy-3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C16H15NO2/c18-16-15-7-6-14(10-13(15)8-9-17-16)19-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,17,18)
InChI Key:
MPJLBOVPTIGFJX-UHFFFAOYSA-N
SMILES:
O=C1NCCc2c1ccc(c2)OCc1ccccc1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.301g/mol
Monoisotopic Mass:
253.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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