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Home > Indoles and Oxindole > 41935-27-7
41935-27-7 | 2-(2-acetyl-3-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 41935-27-7 Catalog No: AG00VTIQ MDL No:MFCD00994904
Product Description
Catalog Number:
AG00VTIQ
Chemical Name:
2-(2-acetyl-3-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
41935-27-7
Molecular Formula:
C14H13NO4
Molecular Weight:
259.2573
MDL Number:
MFCD00994904
IUPAC Name:
2-(2-acetyl-3-oxobutyl)isoindole-1,3-dione
InChI:
InChI=1S/C14H13NO4/c1-8(16)12(9(2)17)7-15-13(18)10-5-3-4-6-11(10)14(15)19/h3-6,12H,7H2,1-2H3
InChI Key:
XIMLYUAJDIUXCV-UHFFFAOYSA-N
SMILES:
CC(=O)C(C(=O)C)CN1C(=O)c2c(C1=O)cccc2
NSC Number:
649421
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.261g/mol
Monoisotopic Mass:
259.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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