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176446-62-1 | 1H-PYRROLE, 2,2'-[(4-METHOXYPHENYL)METHYLENE]BIS-
CAS No: 176446-62-1 Catalog No: AG0024OR MDL No:MFCD11045021
Product Description
Catalog Number:
AG0024OR
Chemical Name:
1H-PYRROLE, 2,2'-[(4-METHOXYPHENYL)METHYLENE]BIS-
CAS Number:
176446-62-1
Molecular Formula:
C16H16N2O
Molecular Weight:
252.3110
MDL Number:
MFCD11045021
IUPAC Name:
2-[(4-methoxyphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
InChI:
InChI=1S/C16H16N2O/c1-19-13-8-6-12(7-9-13)16(14-4-2-10-17-14)15-5-3-11-18-15/h2-11,16-18H,1H3
InChI Key:
RWLGLRBFZUOAGT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(c1ccc[nH]1)c1ccc[nH]1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.317g/mol
Monoisotopic Mass:
252.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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