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Home > Indoles and Oxindole > 52898-32-5
52898-32-5 | 2-(But-3-en-1-yl);isoindoline-1,3-dione
CAS No: 52898-32-5 Catalog No: AG003SAP MDL No:MFCD00175471
Product Description
Catalog Number:
AG003SAP
Chemical Name:
2-(But-3-en-1-yl);isoindoline-1,3-dione
CAS Number:
52898-32-5
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD00175471
IUPAC Name:
2-but-3-enylisoindole-1,3-dione
InChI:
InChI=1S/C12H11NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h2,4-7H,1,3,8H2
InChI Key:
ZDOLXCKKXHSEJG-UHFFFAOYSA-N
SMILES:
C=CCCN1C(=O)c2c(C1=O)cccc2
NSC Number:
366110
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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