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2-Ethoxyethyl propionate

CAT: 0926-FE184125-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0926-FE184125-01Size:25 g
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CAS Number
14272-48-1
Synonyms
Ethylene glycol monoethyl ether propionate
Smiles
O=C (OCCOCC) CC
Molecular Formula
C7H14O3
Molecular Weight
146.18 g/mol
Controlled
No

Chemical Information

Ethanol, 2-ethoxy-, propanoate
CAS Number14272-48-1
PubChem CID71354268
IUPAC Name2-ethoxyethanol;propanoic acid
Molecular FormulaC7H16O4
Molecular Weight164.20
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity61
SMILES
CCC(=O)O.CCOCCO
InChI
InChI=1S/C4H10O2.C3H6O2/c1-2-6-4-3-5;1-2-3(4)5/h5H,2-4H2,1H3;2H2,1H3,(H,4,5)
InChIKey
OPZOJJICKVTDSR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethanol, 2-ethoxy-, propanoate
CAS: 14272-48-1
CID: 71354268
Formula: C7H16O4
MW: 164.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight164.20
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass164.10485899
Monoisotopic Mass164.10485899
Topological Polar Surface Area66.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity61.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes