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1234616-17-1 | 1H-Isoindol-1-one, 6-amino-2-ethyl-2,3-dihydro-
CAS No: 1234616-17-1 Catalog No: AG000KMO MDL No:MFCD17214410
Product Description
Catalog Number:
AG000KMO
Chemical Name:
1H-Isoindol-1-one, 6-amino-2-ethyl-2,3-dihydro-
CAS Number:
1234616-17-1
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD17214410
IUPAC Name:
6-amino-2-ethyl-3H-isoindol-1-one
InChI:
InChI=1S/C10H12N2O/c1-2-12-6-7-3-4-8(11)5-9(7)10(12)13/h3-5H,2,6,11H2,1H3
InChI Key:
PSDSAEYHBZOZBR-UHFFFAOYSA-N
SMILES:
CCN1Cc2c(C1=O)cc(cc2)N
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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