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26171-22-2 | 1H-Pyrrole-2-acetonitrile, 1-methyl-5-(4-methylbenzoyl)-
CAS No: 26171-22-2 Catalog No: AG002RZ1 MDL No:
Product Description
Catalog Number:
AG002RZ1
Chemical Name:
1H-Pyrrole-2-acetonitrile, 1-methyl-5-(4-methylbenzoyl)-
CAS Number:
26171-22-2
Molecular Formula:
C15H14N2O
Molecular Weight:
238.2845
IUPAC Name:
2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetonitrile
InChI:
InChI=1S/C15H14N2O/c1-11-3-5-12(6-4-11)15(18)14-8-7-13(9-10-16)17(14)2/h3-8H,9H2,1-2H3
InChI Key:
APSWAFZHMYVSMV-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(n1C)C(=O)c1ccc(cc1)C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.29g/mol
Monoisotopic Mass:
238.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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