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1184917-29-0 | 5-(hydroxyMethyl)isoquinolin-1(2H)-one
CAS No: 1184917-29-0 Catalog No: AG0099N9 MDL No:
Product Description
Catalog Number:
AG0099N9
Chemical Name:
5-(hydroxyMethyl)isoquinolin-1(2H)-one
CAS Number:
1184917-29-0
IUPAC Name:
5-(hydroxymethyl)-2H-isoquinolin-1-one
InChI:
InChI=1S/C10H9NO2/c12-6-7-2-1-3-9-8(7)4-5-11-10(9)13/h1-5,12H,6H2,(H,11,13)
InChI Key:
QCIJSJSLNLQFJC-UHFFFAOYSA-N
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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