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118799-18-1 | 3-N-OCTYLPYRROLE
CAS No: 118799-18-1 Catalog No: AG003JU3 MDL No:MFCD00191474
Product Description
Catalog Number:
AG003JU3
Chemical Name:
3-N-OCTYLPYRROLE
CAS Number:
118799-18-1
MDL Number:
MFCD00191474
IUPAC Name:
3-octyl-1H-pyrrole
InChI:
InChI=1S/C12H21N/c1-2-3-4-5-6-7-8-12-9-10-13-11-12/h9-11,13H,2-8H2,1H3
InChI Key:
WFHVTZRAIPYMMO-UHFFFAOYSA-N
Properties
Complexity:
112
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:
7
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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