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Home > Indoles and Oxindole > 1461713-81-4
1461713-81-4 | 2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 1461713-81-4 Catalog No: AG01AC34 MDL No:MFCD26407846
Product Description
Catalog Number:
AG01AC34
Chemical Name:
2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
1461713-81-4
Molecular Formula:
C14H12N2O3
Molecular Weight:
256.2567
MDL Number:
MFCD26407846
IUPAC Name:
2-[(5-ethyl-1,3-oxazol-2-yl)methyl]isoindole-1,3-dione
InChI:
InChI=1S/C14H12N2O3/c1-2-9-7-15-12(19-9)8-16-13(17)10-5-3-4-6-11(10)14(16)18/h3-7H,2,8H2,1H3
InChI Key:
SWADWZCJNKTRMU-UHFFFAOYSA-N
SMILES:
CCc1cnc(o1)CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.261g/mol
Monoisotopic Mass:
256.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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