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Trimethyl orthoacetate

CAT: 0024-sc-251349Size: 100 mLDry Ice: NoHazardous: No
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CAT#:0024-sc-251349Size:100 mL
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CAS Number
1445-45-0

Chemical Information

Trimethyl orthoacetate
CAS Number1445-45-0
PubChem CID15050
IUPAC Name1,1,1-trimethoxyethane
Molecular FormulaC5H12O3
Molecular Weight120.15
XLogP0.2
Topological Polar Surface Area27.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity50
SMILES
CC(OC)(OC)OC
InChI
InChI=1S/C5H12O3/c1-5(6-2,7-3)8-4/h1-4H3
InChIKey
HDPNBNXLBDFELL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trimethyl orthoacetate
CAS: 1445-45-0
CID: 15050
Formula: C5H12O3
MW: 120.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight120.15
XLogP30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass120.078644241
Monoisotopic Mass120.078644241
Topological Polar Surface Area27.7 Ų
Heavy Atom Count8
Formal Charge0
Complexity50.4
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

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FT45514-01Trimethyl orthoacetate
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TN9157-01Aphidicolin-3,18-orthoacetate
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