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Home > Indoles and Oxindole > 10108-61-9
10108-61-9 | 1H-Isoindole-1,3(2H)-dione, 2-(1-methylpropyl)-
CAS No: 10108-61-9 Catalog No: AG0003P0 MDL No:
Product Description
Catalog Number:
AG0003P0
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(1-methylpropyl)-
CAS Number:
10108-61-9
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
IUPAC Name:
2-butan-2-ylisoindole-1,3-dione
InChI:
InChI=1S/C12H13NO2/c1-3-8(2)13-11(14)9-6-4-5-7-10(9)12(13)15/h4-8H,3H2,1-2H3
InChI Key:
ZTXOTHWCDVUQRM-UHFFFAOYSA-N
SMILES:
CCC(N1C(=O)c2c(C1=O)cccc2)C
EC Number:
233-295-1
NSC Number:
5681
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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