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89611-58-5 | 1H-Isoindol-1-one, 2,3,4,5,6,7-hexahydro-3-imino-2-phenyl-
CAS No: 89611-58-5 Catalog No: AG003XDQ MDL No:
Product Description
Catalog Number:
AG003XDQ
Chemical Name:
1H-Isoindol-1-one, 2,3,4,5,6,7-hexahydro-3-imino-2-phenyl-
CAS Number:
89611-58-5
Molecular Formula:
C14H14N2O
Molecular Weight:
226.2738
IUPAC Name:
3-imino-2-phenyl-4,5,6,7-tetrahydroisoindol-1-one
InChI:
InChI=1S/C14H14N2O/c15-13-11-8-4-5-9-12(11)14(17)16(13)10-6-2-1-3-7-10/h1-3,6-7,15H,4-5,8-9H2
InChI Key:
IUJAQWIVRBEKFU-UHFFFAOYSA-N
SMILES:
N=C1C2=C(C(=O)N1c1ccccc1)CCCC2
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.279g/mol
Monoisotopic Mass:
226.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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