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1012-25-5 | 1H-Pyrrole, 2,5-dibutyl-
CAS No: 1012-25-5 Catalog No: AG0003XW MDL No:
Product Description
Catalog Number:
AG0003XW
Chemical Name:
1H-Pyrrole, 2,5-dibutyl-
CAS Number:
1012-25-5
Molecular Formula:
C12H21N
Molecular Weight:
179.3018
IUPAC Name:
2,5-dibutyl-1H-pyrrole
InChI:
InChI=1S/C12H21N/c1-3-5-7-11-9-10-12(13-11)8-6-4-2/h9-10,13H,3-8H2,1-2H3
InChI Key:
QYLNOYUPVDSXKE-UHFFFAOYSA-N
SMILES:
CCCCc1ccc([nH]1)CCCC
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.167g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.307g/mol
Monoisotopic Mass:
179.167g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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