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63586-76-5 | 3-(hydroxymethyl)-3,4-dihydroisoquinolin-1(2H)-one
CAS No: 63586-76-5 Catalog No: AG00EJL1 MDL No:
Product Description
Catalog Number:
AG00EJL1
Chemical Name:
3-(hydroxymethyl)-3,4-dihydroisoquinolin-1(2H)-one
CAS Number:
63586-76-5
IUPAC Name:
3-(hydroxymethyl)-3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C10H11NO2/c12-6-8-5-7-3-1-2-4-9(7)10(13)11-8/h1-4,8,12H,5-6H2,(H,11,13)
InChI Key:
CHTLYANSXRWMEV-UHFFFAOYSA-N
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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