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Home > Imidazoles > 911701-06-9
911701-06-9 | 4-(1H-IMIDAZOL-4-YLMETHYL)-PHENOL
CAS No: 911701-06-9 Catalog No: AG00GYC1 MDL No:MFCD08668096
Product Description
Catalog Number:
AG00GYC1
Chemical Name:
4-(1H-IMIDAZOL-4-YLMETHYL)-PHENOL
CAS Number:
911701-06-9
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
MDL Number:
MFCD08668096
IUPAC Name:
4-(1H-imidazol-5-ylmethyl)phenol
InChI:
InChI=1S/C10H10N2O/c13-10-3-1-8(2-4-10)5-9-6-11-7-12-9/h1-4,6-7,13H,5H2,(H,11,12)
InChI Key:
SKMICQUSKSECQN-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)Cc1nc[nH]c1
Properties
Complexity:
155
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:
2
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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