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Ethyl 2-phenylmethoxyacetate

CAT: 1731-AL BI 0628-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:1731-AL BI 0628-01Size:1 mg
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CAS Number
32122-09-1
MDL Number
MFCD06204614
Purity
0.95
Smiles
CCOC (=O) COCc1ccccc1
Shipping Conditions
Room temperature, no cold chain required

Chemical Information

Ethyl 2-(benzyloxy)acetate
CAS Number32122-09-1
PubChem CID290299
IUPAC Nameethyl 2-phenylmethoxyacetate
Molecular FormulaC11H14O3
Molecular Weight194.23
XLogP1.9
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count14
Formal Charge0
Complexity162
SMILES
CCOC(=O)COCC1=CC=CC=C1
InChI
InChI=1S/C11H14O3/c1-2-14-11(12)9-13-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKey
PHSWWKXTGAJPCQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 2-(benzyloxy)acetate
CAS: 32122-09-1
CID: 290299
Formula: C11H14O3
MW: 194.23
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight194.23
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass194.094294304
Monoisotopic Mass194.094294304
Topological Polar Surface Area35.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity162
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes