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137352-74-0 | Phenol, 3-methyl-4-(1H-pyrrol-1-yl)-
CAS No: 137352-74-0 Catalog No: AG001365 MDL No:MFCD10686603
Product Description
Catalog Number:
AG001365
Chemical Name:
Phenol, 3-methyl-4-(1H-pyrrol-1-yl)-
CAS Number:
137352-74-0
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD10686603
IUPAC Name:
3-methyl-4-pyrrol-1-ylphenol
InChI:
InChI=1S/C11H11NO/c1-9-8-10(13)4-5-11(9)12-6-2-3-7-12/h2-8,13H,1H3
InChI Key:
ANIQGOBXYWPCFE-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)C)n1cccc1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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