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3345-25-3 | 6-Isoquinolinol,7-methoxy-4-(phenylmethyl)-
CAS No: 3345-25-3 Catalog No: AG007FD7 MDL No:
Product Description
Catalog Number:
AG007FD7
Chemical Name:
6-Isoquinolinol,7-methoxy-4-(phenylmethyl)-
CAS Number:
3345-25-3
Molecular Formula:
C17H15NO2
Molecular Weight:
265.3065
IUPAC Name:
4-benzyl-7-methoxyisoquinolin-6-ol
InChI:
InChI=1S/C17H15NO2/c1-20-17-8-14-11-18-10-13(15(14)9-16(17)19)7-12-5-3-2-4-6-12/h2-6,8-11,19H,7H2,1H3
InChI Key:
PFRXFVVHPZSQDB-UHFFFAOYSA-N
SMILES:
COc1cc2c[nH]cc(c2cc1=O)Cc1ccccc1
NSC Number:
88924
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.11g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.312g/mol
Monoisotopic Mass:
265.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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