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404913-56-0 | 3,5-dimethyl-1,2-dihydroisoquinolin-1-one
CAS No: 404913-56-0 Catalog No: AG01BJ4I MDL No:MFCD01605674
Product Description
Catalog Number:
AG01BJ4I
Chemical Name:
3,5-dimethyl-1,2-dihydroisoquinolin-1-one
CAS Number:
404913-56-0
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD01605674
IUPAC Name:
3,5-dimethyl-2H-isoquinolin-1-one
InChI:
InChI=1S/C11H11NO/c1-7-4-3-5-9-10(7)6-8(2)12-11(9)13/h3-6H,1-2H3,(H,12,13)
InChI Key:
LDCZFYPXZWCREN-UHFFFAOYSA-N
SMILES:
Cc1cc2c(C)cccc2c(=O)[nH]1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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