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Home > Indoles and Oxindole > 1515-72-6
1515-72-6 | 1H-Isoindole-1,3(2H)-dione, 2-butyl-
CAS No: 1515-72-6 Catalog No: AG001NDQ MDL No:MFCD00039695
Product Description
Catalog Number:
AG001NDQ
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-butyl-
CAS Number:
1515-72-6
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD00039695
IUPAC Name:
2-butylisoindole-1,3-dione
InChI:
InChI=1S/C12H13NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h4-7H,2-3,8H2,1H3
InChI Key:
DLKDEVCJRCPTLN-UHFFFAOYSA-N
SMILES:
CCCCN1C(=O)c2c(C1=O)cccc2
EC Number:
216-157-5
UNII:
5TH1DKT35E
NSC Number:
3559
Properties
Complexity:
251
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:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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