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132752-04-6 | Ethanone, 1-[2,5-dimethyl-1-(phenylmethyl)-1H-pyrrol-3-yl]-
CAS No: 132752-04-6 Catalog No: AG00114G MDL No:
Product Description
Catalog Number:
AG00114G
Chemical Name:
Ethanone, 1-[2,5-dimethyl-1-(phenylmethyl)-1H-pyrrol-3-yl]-
CAS Number:
132752-04-6
Molecular Formula:
C15H17NO
Molecular Weight:
227.3016
IUPAC Name:
1-(1-benzyl-2,5-dimethylpyrrol-3-yl)ethanone
InChI:
InChI=1S/C15H17NO/c1-11-9-15(13(3)17)12(2)16(11)10-14-7-5-4-6-8-14/h4-9H,10H2,1-3H3
InChI Key:
KOHUIOAOLBFZFL-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(n(c1C)Cc1ccccc1)C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.307g/mol
Monoisotopic Mass:
227.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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