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Home > Indoles and Oxindole > 129854-24-6
129854-24-6 | 2-[3-(Pyrazol-1-yl)propyl]isoindole-1,3-dione
CAS No: 129854-24-6 Catalog No: AG00HRZC MDL No:MFCD02755749
Product Description
Catalog Number:
AG00HRZC
Chemical Name:
2-[3-(Pyrazol-1-yl)propyl]isoindole-1,3-dione
CAS Number:
129854-24-6
Molecular Formula:
C14H13N3O2
Molecular Weight:
255.2719
MDL Number:
MFCD02755749
IUPAC Name:
2-(3-pyrazol-1-ylpropyl)isoindole-1,3-dione
InChI:
InChI=1S/C14H13N3O2/c18-13-11-5-1-2-6-12(11)14(19)17(13)10-4-9-16-8-3-7-15-16/h1-3,5-8H,4,9-10H2
InChI Key:
XVMAETWCOTYRCA-UHFFFAOYSA-N
SMILES:
O=C1N(CCCn2cccn2)C(=O)c2c1cccc2
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.101g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.277g/mol
Monoisotopic Mass:
255.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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