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18818-30-9 | Ethanone, 1-(4-methyl-1H-pyrrol-3-yl)-
CAS No: 18818-30-9 Catalog No: AG002GR0 MDL No:MFCD00111582
Product Description
Catalog Number:
AG002GR0
Chemical Name:
Ethanone, 1-(4-methyl-1H-pyrrol-3-yl)-
CAS Number:
18818-30-9
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
MDL Number:
MFCD00111582
IUPAC Name:
1-(4-methyl-1H-pyrrol-3-yl)ethanone
InChI:
InChI=1S/C7H9NO/c1-5-3-8-4-7(5)6(2)9/h3-4,8H,1-2H3
InChI Key:
CBTWAEGIWMBHTC-UHFFFAOYSA-N
SMILES:
CC(=O)c1c[nH]cc1C
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
123.155g/mol
Monoisotopic Mass:
123.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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