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Home > Indoles and Oxindole > 13296-42-9
13296-42-9 | 1H-Isoindole-1,3(2H)-dione, 2-(4-methyl-3-penten-1-yl)-
CAS No: 13296-42-9 Catalog No: AG0011G8 MDL No:MFCD09923366
Product Description
Catalog Number:
AG0011G8
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(4-methyl-3-penten-1-yl)-
CAS Number:
13296-42-9
Molecular Formula:
C14H15NO2
Molecular Weight:
229.2744
MDL Number:
MFCD09923366
IUPAC Name:
2-(4-methylpent-3-enyl)isoindole-1,3-dione
InChI:
InChI=1S/C14H15NO2/c1-10(2)6-5-9-15-13(16)11-7-3-4-8-12(11)14(15)17/h3-4,6-8H,5,9H2,1-2H3
InChI Key:
MRZQAASTUQTBMY-UHFFFAOYSA-N
SMILES:
CC(=CCCN1C(=O)c2c(C1=O)cccc2)C
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.279g/mol
Monoisotopic Mass:
229.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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