Acetic Anhydride-D6

CAT: 1299-RG-A030517-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A030517-01Size:10 mg

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CAS Number

16649-49-3

Synonyms

Acetic anhydride-d6

Molecular Formula

C4D6O3

Molecular Weight

108.13

Product Name Synonym

Acetic anhydride-d6

Chemical Information

[2H3]acetic anhydride

CAS Number	16649-49-3
PubChem CID	2723966
IUPAC Name	(2,2,2-trideuterioacetyl) 2,2,2-trideuterioacetate
Molecular Formula	C4H6O3
Molecular Weight	108.13
XLogP	-0.1
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	83

SMILES

[2H]C([2H])([2H])C(=O)OC(=O)C([2H])([2H])[2H]

InChI

InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3/i1D3,2D3

InChIKey

WFDIJRYMOXRFFG-WFGJKAKNSA-N

Chemical Structure

2D Structure

CAS: 16649-49-3

CID: 2723966

Formula: C4H6O3

MW: 108.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	108.13
XLogP3	-0.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	108.069354525
Monoisotopic Mass	108.069354525
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	83.1
Isotope Atom Count	6
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RG-A030519-01	Acetic Propionic Anhydride
RG-A261782-01	Acetic Isobutyric Anhydride
RG-E140553-01	Acetic nitrosoformimidic anhydride
RG-E141443-01	Pyridine-acetic anhydride
RG-A260460-01	Acetic anhydride (controlled substance)
RG-B212007-01	Butyric Anhydride
RG-P181520-01	Propionic Anhydride
RM-P052032-01	Pentoxifylline-D6 (Dimethyl-D6)
RG-A261945-01	Nicotinic Anhydride
RG-L020200-01	Lactic Anhydride