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114900-83-3 | 1-Octanone, 1-(1H-pyrrol-3-yl)-
CAS No: 114900-83-3 Catalog No: AG000FF7 MDL No:
Product Description
Catalog Number:
AG000FF7
Chemical Name:
1-Octanone, 1-(1H-pyrrol-3-yl)-
CAS Number:
114900-83-3
Molecular Formula:
C12H19NO
Molecular Weight:
193.2854
IUPAC Name:
1-(1H-pyrrol-3-yl)octan-1-one
InChI:
InChI=1S/C12H19NO/c1-2-3-4-5-6-7-12(14)11-8-9-13-10-11/h8-10,13H,2-7H2,1H3
InChI Key:
RIUYABVRXQBKJW-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)c1c[nH]cc1
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.147g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.29g/mol
Monoisotopic Mass:
193.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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