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1500-94-3 | Ethanone, 1-(2,5-dimethyl-1H-pyrrol-3-yl)-
CAS No: 1500-94-3 Catalog No: AG001M7Q MDL No:
Product Description
Catalog Number:
AG001M7Q
Chemical Name:
Ethanone, 1-(2,5-dimethyl-1H-pyrrol-3-yl)-
CAS Number:
1500-94-3
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
IUPAC Name:
1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
InChI:
InChI=1S/C8H11NO/c1-5-4-8(7(3)10)6(2)9-5/h4,9H,1-3H3
InChI Key:
PSUPUISQTBAWLO-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc([nH]c1C)C
NSC Number:
40231
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
137.182g/mol
Monoisotopic Mass:
137.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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