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Home > Indoles and Oxindole > 89130-81-4
89130-81-4 | 1H-Isoindol-1-one, 2-butyl-2,3-dihydro-3-imino-, (E)-
CAS No: 89130-81-4 Catalog No: AG003Z4O MDL No:
Product Description
Catalog Number:
AG003Z4O
Chemical Name:
1H-Isoindol-1-one, 2-butyl-2,3-dihydro-3-imino-, (E)-
CAS Number:
89130-81-4
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
IUPAC Name:
2-butyl-3-iminoisoindol-1-one
InChI:
InChI=1S/C12H14N2O/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12(14)15/h4-7,13H,2-3,8H2,1H3
InChI Key:
USFSCPYCMCPEKE-UHFFFAOYSA-N
SMILES:
CCCCN1C(=N)c2c(C1=O)cccc2
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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