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Home > Imidazoles > 10041-03-9
10041-03-9 | Phenol, 3-(1H-imidazol-1-yl)-
CAS No: 10041-03-9 Catalog No: AG0001XL MDL No:MFCD19686220
Product Description
Catalog Number:
AG0001XL
Chemical Name:
Phenol, 3-(1H-imidazol-1-yl)-
CAS Number:
10041-03-9
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD19686220
IUPAC Name:
3-imidazol-1-ylphenol
InChI:
InChI=1S/C9H8N2O/c12-9-3-1-2-8(6-9)11-5-4-10-7-11/h1-7,12H
InChI Key:
BECRMARRTSMUAO-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)n1cncc1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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