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Trimethylacetic anhydride

CAT: 0931-T0546-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T0546-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1538-75-6
Target
Others
Related Pathways
Others
Purity
≥95%
Bioactivity
Trimethylacetic anhydride (Pivalic anhydride) is used as medical intermediate
Smiles
CC(C)(C)C(=O)OC(=O)C(C)(C)C
Molecular Formula
C10H18O3
Molecular Weight
186.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pivalic anhydride
CAS Number1538-75-6
PubChem CID15234
IUPAC Name2,2-dimethylpropanoyl 2,2-dimethylpropanoate
Molecular FormulaC10H18O3
Molecular Weight186.25
XLogP2.7
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity191
SMILES
CC(C)(C)C(=O)OC(=O)C(C)(C)C
InChI
InChI=1S/C10H18O3/c1-9(2,3)7(11)13-8(12)10(4,5)6/h1-6H3
InChIKey
PGZVFRAEAAXREB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pivalic anhydride
CAS: 1538-75-6
CID: 15234
Formula: C10H18O3
MW: 186.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight186.25
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass186.125594432
Monoisotopic Mass186.125594432
Topological Polar Surface Area43.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity191
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