USD $15.00-50.00 / Kilogram
USD $15.00-50.00 / Kilogram
USD $15.00-50.00 / Kilogram
USD $15.00-50.00 / Kilogram
USD $15.00-50.00 / Kilogram
USD $4.50-5.00 / Liter
USD $4.50-5.00 / Liter
USD $15.00-50.00 / Kilogram
USD $15.00-50.00 / Kilogram
【name】
2-methoxyethyl benzoate
【iupac name】
2-methoxyethyl benzoate
【cas registry number】
5451-71-8
【synonyms】
2-methoxyethyl benzoate
5451-71-8
nsc21852
ac1l5gga
ac1q688o
ar-1e3196
nsc-21852
【molecular formula】
c10h12o3 (products with the same molecular formula)
【molecular weight】
180.2005
【inchi】
inchi=1/c10h12o3/c1-12-7-8-13-10(11)9-5-3-2-4-6-9/h2-6h,7-8h2,1h3
【canonical smiles】
coccoc(=o)c1=cc=cc=c1
【mol file】
5451-71-8.mol
chemical and physical properties
【density】
1.08g/cm3
【boiling point】
224.9°c at 760 mmhg
【refractive index】
1.5
【flash point】
86.4°c
【computed properties】
molecular weight:180.20048 [g/mol]
molecular formula:c10h12o3
xlogp3:1.8
h-bond donor:0
h-bond acceptor:3
rotatable bond count:5
exact mass:180.078644
monoisotopic mass:180.078644
topological polar surface area:35.5
heavy atom count:13
formal charge:0
complexity:150
isotope atom count:0
defined atom stereocenter count:0
undefined atom stereocenter count:0
defined bond stereocenter count:0
undefined bond stereocenter count:0
covalently-bonded unit count:1
feature 3d acceptor count:2
feature 3d ring count:1
effective rotor count:5
conformer sampling rmsd:0.6
cid conformer count:68