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80200-06-2 | Phenol, 4-[2-(1H-imidazol-1-yl)ethyl]-
CAS No: 80200-06-2 Catalog No: AG0054DF MDL No:
Product Description
Catalog Number:
AG0054DF
Chemical Name:
Phenol, 4-[2-(1H-imidazol-1-yl)ethyl]-
CAS Number:
80200-06-2
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
4-(2-imidazol-1-ylethyl)phenol
InChI:
InChI=1S/C11H12N2O/c14-11-3-1-10(2-4-11)5-7-13-8-6-12-9-13/h1-4,6,8-9,14H,5,7H2
InChI Key:
GNEGQWVZASEYDC-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)CCn1cncc1
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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