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68337-62-2 | 4-(5-METHYL-1H-IMIDAZOL-1-YL)PHENOL
CAS No: 68337-62-2 Catalog No: AG006M0J MDL No:
Product Description
Catalog Number:
AG006M0J
Chemical Name:
4-(5-METHYL-1H-IMIDAZOL-1-YL)PHENOL
CAS Number:
68337-62-2
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
IUPAC Name:
4-(5-methylimidazol-1-yl)phenol
InChI:
InChI=1S/C10H10N2O/c1-8-6-11-7-12(8)9-2-4-10(13)5-3-9/h2-7,13H,1H3
InChI Key:
STZDOOANZJZCRW-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)n1cncc1C
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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