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Home > Indoles and Oxindole > 1909320-15-5
1909320-15-5 | 2-[(1-methyl-1H-pyrazol-3-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 1909320-15-5 Catalog No: AG01C3TG MDL No:MFCD29762877
Product Description
Catalog Number:
AG01C3TG
Chemical Name:
2-[(1-methyl-1H-pyrazol-3-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
1909320-15-5
Molecular Formula:
C13H11N3O2
Molecular Weight:
241.2453
MDL Number:
MFCD29762877
IUPAC Name:
2-[(1-methylpyrazol-3-yl)methyl]isoindole-1,3-dione
InChI:
InChI=1S/C13H11N3O2/c1-15-7-6-9(14-15)8-16-12(17)10-4-2-3-5-11(10)13(16)18/h2-7H,8H2,1H3
InChI Key:
NMTZEEWNTUFEJD-UHFFFAOYSA-N
SMILES:
Cn1ccc(n1)CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.25g/mol
Monoisotopic Mass:
241.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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