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Home > Imidazoles > 1314912-55-4
1314912-55-4 | 3-[1-(1H-imidazol-4-yl)ethyl]phenol
CAS No: 1314912-55-4 Catalog No: AG01AUNC MDL No:MFCD08668038
Product Description
Catalog Number:
AG01AUNC
Chemical Name:
3-[1-(1H-imidazol-4-yl)ethyl]phenol
CAS Number:
1314912-55-4
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
MDL Number:
MFCD08668038
IUPAC Name:
3-[1-(1H-imidazol-5-yl)ethyl]phenol
InChI:
InChI=1S/C11H12N2O/c1-8(11-6-12-7-13-11)9-3-2-4-10(14)5-9/h2-8,14H,1H3,(H,12,13)
InChI Key:
ILWZLMQPOUAOSN-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)C(c1c[nH]cn1)C
Properties
Complexity:
186
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:
2
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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