sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks Benzeneethanol, α-methyl-, 1-acetate

Benzeneethanol, α-methyl-, 1-acetate

CAS No.:
2114-33-2
Catalog Number:
AG002LBY
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>95.0%(GC)
1 week
United States
$692
- +
Product Description
Catalog Number:
AG002LBY
Chemical Name:
Benzeneethanol, α-methyl-, 1-acetate
CAS Number:
2114-33-2
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD01672540
IUPAC Name:
1-phenylpropan-2-yl acetate
InChI:
InChI=1S/C11H14O2/c1-9(13-10(2)12)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
InChI Key:
LOHDWLZDQXQLJA-UHFFFAOYSA-N
SMILES:
CC(Cc1ccccc1)OC(=O)C
EC Number:
218-314-3
NSC Number:
30160
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Thermostable lipases from the extreme thermophilic anaerobic bacteria Thermoanaerobacter thermohydrosulfuricus SOL1 and Caldanaerobacter subterraneus subsp. tengcongensis. Extremophiles : life under extreme conditions 20090901
Properties