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88054-95-9 | 1H-Pyrrole, 1-ethenyl-3-hexyl-2-phenyl-
CAS No: 88054-95-9 Catalog No: AG004LO6 MDL No:
Product Description
Catalog Number:
AG004LO6
Chemical Name:
1H-Pyrrole, 1-ethenyl-3-hexyl-2-phenyl-
CAS Number:
88054-95-9
Molecular Formula:
C18H23N
Molecular Weight:
253.3819
IUPAC Name:
1-ethenyl-3-hexyl-2-phenylpyrrole
InChI:
InChI=1S/C18H23N/c1-3-5-6-8-13-17-14-15-19(4-2)18(17)16-11-9-7-10-12-16/h4,7,9-12,14-15H,2-3,5-6,8,13H2,1H3
InChI Key:
CWBCBRQXSZCJNZ-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccn(c1c1ccccc1)C=C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.183g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.389g/mol
Monoisotopic Mass:
253.183g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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