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127691-88-7 | 1H-Pyrrole, 1-dodecyl-
CAS No: 127691-88-7 Catalog No: AG000XAY MDL No:
Product Description
Catalog Number:
AG000XAY
Chemical Name:
1H-Pyrrole, 1-dodecyl-
CAS Number:
127691-88-7
Molecular Formula:
C16H29N
Molecular Weight:
235.4082
IUPAC Name:
1-dodecylpyrrole
InChI:
InChI=1S/C16H29N/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-17/h12-13,15-16H,2-11,14H2,1H3
InChI Key:
RGKHJCJLLHLXDX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCn1cccc1
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.23g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.415g/mol
Monoisotopic Mass:
235.23g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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