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6214-44-4 | (4-Ethoxyphenyl);methanol
CAS No: 6214-44-4 Catalog No: AG003BVN MDL No:MFCD00004655
Product Description
Catalog Number:
AG003BVN
Chemical Name:
(4-Ethoxyphenyl);methanol
CAS Number:
6214-44-4
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
MDL Number:
MFCD00004655
IUPAC Name:
(4-ethoxyphenyl)methanol
InChI:
InChI=1S/C9H12O2/c1-2-11-9-5-3-8(7-10)4-6-9/h3-6,10H,2,7H2,1H3
InChI Key:
UKFLLQIRBABMKF-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)CO
EC Number:
228-283-8
NSC Number:
406713
Properties
Complexity:
95.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.193g/mol
Monoisotopic Mass:
152.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase. | Journal of medicinal chemistry 20110113 |
| Identification of sulfation sites of metabolites and prediction of the compounds' biological effects. | Analytical and bioanalytical chemistry 20061001 |
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