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69213-62-3 | 3(2H)-Isoquinolinone, 2-ethyl-1,4-dihydro-
CAS No: 69213-62-3 Catalog No: AG006BAQ MDL No:MFCD13179584
Product Description
Catalog Number:
AG006BAQ
Chemical Name:
3(2H)-Isoquinolinone, 2-ethyl-1,4-dihydro-
CAS Number:
69213-62-3
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD13179584
IUPAC Name:
2-ethyl-1,4-dihydroisoquinolin-3-one
InChI:
InChI=1S/C11H13NO/c1-2-12-8-10-6-4-3-5-9(10)7-11(12)13/h3-6H,2,7-8H2,1H3
InChI Key:
DKBCPXMRPHRJAB-UHFFFAOYSA-N
SMILES:
CCN1Cc2ccccc2CC1=O
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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