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7287-82-3 | 1-(2-Methylphenyl)ethanol
CAS No: 7287-82-3 Catalog No: AG003CVA MDL No:MFCD00046632
Product Description
Catalog Number:
AG003CVA
Chemical Name:
1-(2-Methylphenyl)ethanol
CAS Number:
7287-82-3
Molecular Formula:
C9H12O
Molecular Weight:
136.1910
MDL Number:
MFCD00046632
IUPAC Name:
1-(2-methylphenyl)ethanol
InChI:
InChI=1S/C9H12O/c1-7-5-3-4-6-9(7)8(2)10/h3-6,8,10H,1-2H3
InChI Key:
SDCBYRLJYGORNK-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1C)O
EC Number:
230-716-0
Properties
Complexity:
101
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:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Origin of the detrimental effect of lithium halides on an enantioselective nucleophilic alkylation of aldehydes. | The Journal of organic chemistry 20070831 |
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