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101712-97-4 | 1(2H)-Isoquinolinone, 2-(1-methylethyl)-
CAS No: 101712-97-4 Catalog No: AG0005AE MDL No:
Product Description
Catalog Number:
AG0005AE
Chemical Name:
1(2H)-Isoquinolinone, 2-(1-methylethyl)-
CAS Number:
101712-97-4
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
IUPAC Name:
2-propan-2-ylisoquinolin-1-one
InChI:
InChI=1S/C12H13NO/c1-9(2)13-8-7-10-5-3-4-6-11(10)12(13)14/h3-9H,1-2H3
InChI Key:
JOAKYORQSQTACM-UHFFFAOYSA-N
SMILES:
CC(n1ccc2c(c1=O)cccc2)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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