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Home > Indoles and Oxindole > 50699-17-7
50699-17-7 | 2-[(trimethyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 50699-17-7 Catalog No: AG00VTIX MDL No:MFCD11898904
Product Description
Catalog Number:
AG00VTIX
Chemical Name:
2-[(trimethyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
50699-17-7
Molecular Formula:
C15H15N3O2
Molecular Weight:
269.2985
MDL Number:
MFCD11898904
IUPAC Name:
2-[(1,3,5-trimethylpyrazol-4-yl)methyl]isoindole-1,3-dione
InChI:
InChI=1S/C15H15N3O2/c1-9-13(10(2)17(3)16-9)8-18-14(19)11-6-4-5-7-12(11)15(18)20/h4-7H,8H2,1-3H3
InChI Key:
ZCUUBLFAAITBOC-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2c(C)nn(c2C)C)C(=O)c2c1cccc2
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.304g/mol
Monoisotopic Mass:
269.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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