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20299-81-4 | 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-5-methyl-2-(2-propen-1-yl)-
CAS No: 20299-81-4 Catalog No: AG0028MG MDL No:
Product Description
Catalog Number:
AG0028MG
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-5-methyl-2-(2-propen-1-yl)-
CAS Number:
20299-81-4
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
IUPAC Name:
5-methyl-2-prop-2-enyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
InChI:
InChI=1S/C12H15NO2/c1-3-6-13-11(14)9-5-4-8(2)7-10(9)12(13)15/h3-4,9-10H,1,5-7H2,2H3
InChI Key:
KJIUXRIHBJRJEP-UHFFFAOYSA-N
SMILES:
C=CCN1C(=O)C2C(C1=O)CC=C(C2)C
NSC Number:
72727
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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