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Home > Indoles and Oxindole > 89068-40-6
89068-40-6 | 1H-Isoindole-1,3(2H)-dione, hexahydro-3a,7a-dimethyl-2-phenyl-
CAS No: 89068-40-6 Catalog No: AG0040RY MDL No:
Product Description
Catalog Number:
AG0040RY
Chemical Name:
1H-Isoindole-1,3(2H)-dione, hexahydro-3a,7a-dimethyl-2-phenyl-
CAS Number:
89068-40-6
Molecular Formula:
C16H19NO2
Molecular Weight:
257.3276
IUPAC Name:
3a,7a-dimethyl-2-phenyl-4,5,6,7-tetrahydroisoindole-1,3-dione
InChI:
InChI=1S/C16H19NO2/c1-15-10-6-7-11-16(15,2)14(19)17(13(15)18)12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3
InChI Key:
FQYJSBWFSDCBHJ-UHFFFAOYSA-N
SMILES:
O=C1N(c2ccccc2)C(=O)C2(C1(C)CCCC2)C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.333g/mol
Monoisotopic Mass:
257.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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