Home Other Building Blocks 2-Ethylbenzyl alcohol

2-Ethylbenzyl alcohol

CAS No.:
767-90-8
Catalog Number:
AG003BN2
Molecular Formula:
C9H12O
Molecular Weight:
136.1910
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
1 week
United States
$114
- +
1g
98%
1 week
United States
$205
- +
Product Description
Catalog Number:
AG003BN2
Chemical Name:
2-Ethylbenzyl alcohol
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
Properties