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767-90-8 | (2-Ethylphenyl);methanol
CAS No: 767-90-8 Catalog No: AG003BN2 MDL No:MFCD03093889
Product Description
Catalog Number:
AG003BN2
Chemical Name:
(2-Ethylphenyl);methanol
CAS Number:
767-90-8
Molecular Formula:
C9H12O
Molecular Weight:
136.1910
MDL Number:
MFCD03093889
IUPAC Name:
(2-ethylphenyl)methanol
InChI:
InChI=1S/C9H12O/c1-2-8-5-3-4-6-9(8)7-10/h3-6,10H,2,7H2,1H3
InChI Key:
SBUIQTMDIOLKAL-UHFFFAOYSA-N
SMILES:
OCc1ccccc1CC
Properties
Complexity:
90.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.089g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
136.194g/mol
Monoisotopic Mass:
136.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase. | Journal of medicinal chemistry 20061005 |
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