USD $2.00-10.00 / Kilogram
USD $2.00-10.00 / Kilogram
USD $2.00-10.00 / Kilogram
USD $1.00-10.00 / Kilogram
USD $1.00-10.00 / Metric Ton
USD $2.00-10.00 / Kilogram
USD $2.00-10.00 / Kilogram
USD $2.00-10.00 / Kilogram
USD $10.00-50.00 / Metric Ton
【name】
tetrahydro-2h-pyran-2-methyl acetate
【iupac name】
oxan-2-ylmethyl acetate
【cas registry number】
5440-83-5
【synonyms】
2h-pyran-2-methanol, tetrahydro-, 2-acetate
ai3-21178
nsc 20751
nsc 44985
tetrahydro-2h-pyran-2-methanol acetate
2h-pyran-2-methanol, tetrahydro-, acetate
tetrahydro-2h-pyran-2-methyl acetate
tetrahydro-2h-pyran-2-ylmethyl acetate
【einecs(ec#)】
226-625-0
【molecular formula】
c8h14o3 (products with the same molecular formula)
【molecular weight】
158.195
【inchi】
inchi=1/c8h14o3/c1-7(9)11-6-8-4-2-3-5-10-8/h8h,2-6h2,1h3
【canonical smiles】
cc(=o)occ1cccco1
【mol file】
5440-83-5.mol
chemical and physical properties
【density】
1.02g/cm3
【boiling point】
217.4°c at 760 mmhg
【refractive index】
1.434
【flash point】
93.1°c
【computed properties】
molecular weight:158.19496 [g/mol]
molecular formula:c8h14o3
xlogp3-aa:0.9
h-bond donor:0
h-bond acceptor:3
rotatable bond count:3
exact mass:158.094294
monoisotopic mass:158.094294
topological polar surface area:35.5
heavy atom count:11
formal charge:0
complexity:133
isotope atom count:0
defined atom stereocenter count:0
undefined atom stereocenter count:1
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:4.2
conformer sampling rmsd:0.6
cid conformer count:47