Acetic Acid-13C-d4

CAT: 1596-AR-A03242-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A03242-01Size:10 Units

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CAS Number

63459-47-2

Synonyms

Acetic Acid-1-13C, D4; Acetic-1-13C-2,2,2-d3 acid

Molecular Formula

C13CD4O2

Molecular Weight

65.07

API Name

Stable Isotopes

Chemical Information

Acetic acid-1-13C,d4

See also: Acetic Acid (annotation moved to); Carboxylic acids, C2-3 (annotation moved to); Lead tetraacetate (annotation moved to) ... View More ...

CAS Number	63459-47-2
PubChem CID	16211886
IUPAC Name	deuterio 2,2,2-trideuterioacetate
Molecular Formula	C2H4O2
Molecular Weight	65.069
XLogP	-0.2
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	4
Formal Charge	0
Complexity	31

SMILES

[2H]C([2H])([2H])[13C](=O)O[2H]

InChI

InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3,2+1/hD

InChIKey

QTBSBXVTEAMEQO-OIFRIMMXSA-N

Chemical Structure

2D Structure

CAS: 63459-47-2

CID: 16211886

Formula: C2H4O2

MW: 65.069

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	65.069
XLogP3	-0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	65.049591185
Monoisotopic Mass	65.049591185
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	4
Formal Charge	0
Complexity	31
Isotope Atom Count	5
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
AR-A03241-01	Acetic Acid-d4
AR-A07139-01	Dihydroartemisinin-13C-d4
AR-D01692-01	Diclazuril-13C-d4
AR-A02578-01	Dihydroartemisinin-13C-d4
AR-M02485-01	Methanol-13C, d4
AR-X19832-01	XAV-939-13C-d4
AR-A07075-01	L-Arginine-13C-d4 HCl
AR-A02499-01	L-Arginine-13C-d4 HCl
AR-F09712-01	Docosanoic Acid-d4 (Behenic Acid-d4)
AR-P30897-01	Nonadecafluorodecanoic-13C Acid