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1529603-69-7 | 7-(PROPAN-2-YL)-1,2-DIHYDROISOQUINOLIN-1-ONE
CAS No: 1529603-69-7 Catalog No: AG01BJ4S MDL No:MFCD22097492
Product Description
Catalog Number:
AG01BJ4S
Chemical Name:
7-(PROPAN-2-YL)-1,2-DIHYDROISOQUINOLIN-1-ONE
CAS Number:
1529603-69-7
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
MDL Number:
MFCD22097492
IUPAC Name:
7-propan-2-yl-2H-isoquinolin-1-one
InChI:
InChI=1S/C12H13NO/c1-8(2)10-4-3-9-5-6-13-12(14)11(9)7-10/h3-8H,1-2H3,(H,13,14)
InChI Key:
WTJQGXZWSONVKR-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)c(=O)[nH]cc2)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:
1
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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