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873653-12-4 | 1H-Pyrrole, 1-nonyl-2-pentyl-
CAS No: 873653-12-4 Catalog No: AG004NUK MDL No:
Product Description
Catalog Number:
AG004NUK
Chemical Name:
1H-Pyrrole, 1-nonyl-2-pentyl-
CAS Number:
873653-12-4
Molecular Formula:
C18H33N
Molecular Weight:
263.4613
IUPAC Name:
1-nonyl-2-pentylpyrrole
InChI:
InChI=1S/C18H33N/c1-3-5-7-8-9-10-12-16-19-17-13-15-18(19)14-11-6-4-2/h13,15,17H,3-12,14,16H2,1-2H3
InChI Key:
KFVALKLHDKTQMC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCn1cccc1CCCCC
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.261g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.469g/mol
Monoisotopic Mass:
263.261g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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