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116072-31-2 | Phenol, 2,2'-(1H-pyrrole-2,5-diyl)bis[4-methyl-
CAS No: 116072-31-2 Catalog No: AG000BK7 MDL No:
Product Description
Catalog Number:
AG000BK7
Chemical Name:
Phenol, 2,2'-(1H-pyrrole-2,5-diyl)bis[4-methyl-
CAS Number:
116072-31-2
Molecular Formula:
C18H17NO2
Molecular Weight:
279.3331
IUPAC Name:
2-[5-(2-hydroxy-5-methylphenyl)-1H-pyrrol-2-yl]-4-methylphenol
InChI:
InChI=1S/C18H17NO2/c1-11-3-7-17(20)13(9-11)15-5-6-16(19-15)14-10-12(2)4-8-18(14)21/h3-10,19-21H,1-2H3
InChI Key:
LKUGIQLBLJPQCX-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1c1ccc([nH]1)c1cc(C)ccc1O)C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
279.339g/mol
Monoisotopic Mass:
279.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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