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2-Methoxy-1-Propyl Acetate

CAT: 0127-OR1028870-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1028870-01Size:250 mg
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CAS Number
70657-70-4
Synonyms
2-methoxypropyl acetate
Purity
95%
Smiles
CC(COC(=O)C)OC

Chemical Information

1-Propanol, 2-methoxy-, 1-acetate
CAS Number70657-70-4
PubChem CID51132
IUPAC Name2-methoxypropyl acetate
Molecular FormulaC6H12O3
Molecular Weight132.16
XLogP0.4
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity90
SMILES
CC(COC(=O)C)OC
InChI
InChI=1S/C6H12O3/c1-5(8-3)4-9-6(2)7/h5H,4H2,1-3H3
InChIKey
BTZVKSVLFLRBRE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Propanol, 2-methoxy-, 1-acetate
CAS: 70657-70-4
CID: 51132
Formula: C6H12O3
MW: 132.16
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.16
XLogP30.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass132.078644241
Monoisotopic Mass132.078644241
Topological Polar Surface Area35.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity90.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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