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4594-71-2 | 2-Methyl-1(2H)-isoquinolone
CAS No: 4594-71-2 Catalog No: AG00DHYB MDL No:MFCD00040275
Product Description
Catalog Number:
AG00DHYB
Chemical Name:
2-Methyl-1(2H)-isoquinolone
CAS Number:
4594-71-2
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD00040275
IUPAC Name:
2-methylisoquinolin-1-one
InChI:
InChI=1S/C10H9NO/c1-11-7-6-8-4-2-3-5-9(8)10(11)12/h2-7H,1H3
InChI Key:
YJRMHIKEMDTYDR-UHFFFAOYSA-N
SMILES:
Cn1ccc2c(c1=O)cccc2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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