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Home > Indoles and Oxindole > 15936-45-5
15936-45-5 | 1H-Isoindole-1,3(2H)-dione, 2-(3-methyl-2-buten-1-yl)-
CAS No: 15936-45-5 Catalog No: AG001QMU MDL No:MFCD00158680
Product Description
Catalog Number:
AG001QMU
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(3-methyl-2-buten-1-yl)-
CAS Number:
15936-45-5
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
MDL Number:
MFCD00158680
IUPAC Name:
2-(3-methylbut-2-enyl)isoindole-1,3-dione
InChI:
InChI=1S/C13H13NO2/c1-9(2)7-8-14-12(15)10-5-3-4-6-11(10)13(14)16/h3-7H,8H2,1-2H3
InChI Key:
NPPJFTLLMRKUHM-UHFFFAOYSA-N
SMILES:
CC(=CCN1C(=O)c2c(C1=O)cccc2)C
NSC Number:
84144
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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