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14960-80-6 | 2,2'-Bi-1H-pyrrole, 4-methoxy-5-[(5-undecyl-2H-pyrrol-2-ylidene)methyl]-
CAS No: 14960-80-6 Catalog No: AG001LV2 MDL No:
Product Description
Catalog Number:
AG001LV2
Chemical Name:
2,2'-Bi-1H-pyrrole, 4-methoxy-5-[(5-undecyl-2H-pyrrol-2-ylidene)methyl]-
CAS Number:
14960-80-6
Molecular Formula:
C25H35N3O
Molecular Weight:
393.5649
IUPAC Name:
3-methoxy-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole
InChI:
InChI=1S/C25H35N3O/c1-3-4-5-6-7-8-9-10-11-13-20-15-16-21(27-20)18-24-25(29-2)19-23(28-24)22-14-12-17-26-22/h12,14-19,26-27H,3-11,13H2,1-2H3
InChI Key:
HIYSWASSDOXZLC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC1=NC(=Cc2[nH]c(cc2OC)c2ccc[nH]2)C=C1
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.278g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
393.575g/mol
Monoisotopic Mass:
393.278g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.2
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