200,000+ products from a single source!
sales@angenechem.com
Home > Quinoline > 252061-87-3
252061-87-3 | 3(2H)-Isoquinolinone, 1,4-dihydro-6-(phenylmethoxy)-
CAS No: 252061-87-3 Catalog No: AG002QXH MDL No:
Product Description
Catalog Number:
AG002QXH
Chemical Name:
3(2H)-Isoquinolinone, 1,4-dihydro-6-(phenylmethoxy)-
CAS Number:
252061-87-3
Molecular Formula:
C16H15NO2
Molecular Weight:
253.2958
IUPAC Name:
6-phenylmethoxy-2,4-dihydro-1H-isoquinolin-3-one
InChI:
InChI=1S/C16H15NO2/c18-16-9-14-8-15(7-6-13(14)10-17-16)19-11-12-4-2-1-3-5-12/h1-8H,9-11H2,(H,17,18)
InChI Key:
FMWLMACQOCZCBD-UHFFFAOYSA-N
SMILES:
O=C1NCc2c(C1)cc(cc2)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:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.