2,3-Butanedione-d6

CAT: 1266-JH918623Size: 1 EachDry Ice: NoHazardous: No

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CAT#:1266-JH918623Size:1 Each

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CAS Number

22026-37-5

Molecular Formula

C4D6O2

Molecular Weight

92.13

Chemical Information

2,3-Butanedione-D6

CAS Number	22026-37-5
PubChem CID	12197630
IUPAC Name	1,1,1,4,4,4-hexadeuteriobutane-2,3-dione
Molecular Formula	C4H6O2
Molecular Weight	92.13
XLogP	-1.3
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	6
Formal Charge	0
Complexity	71

SMILES

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

InChI

InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3/i1D3,2D3

InChIKey

QSJXEFYPDANLFS-WFGJKAKNSA-N

Chemical Structure

2D Structure

CAS: 22026-37-5

CID: 12197630

Formula: C4H6O2

MW: 92.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	92.13
XLogP3	-1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	92.074439906
Monoisotopic Mass	92.074439906
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	71.5
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
JH285055	2-IODOPROPANE-1,1,1,3,3,3-D6
JH919323	2-propanol-1,1,1,3,3,3-D6
JH914287	3,6-bis (2- (methyl-d3) propan-2-yl-1,1,1,3,3,3-d6) -9H-carbazole-1,2,4,5,7,8-d6
JH154501	Ethanol-d6
JH913109	Benzene-d6
JH918197	3,6-dibromo-9H-carbazole-1,2,4,5,7,8-d6
JH918960	2,6-dibromo-9H-carbazole-1,3,4,5,7,8-d6
JH917813	9-Chloro-2- (phenyl-2,3,4,5,6-d5) dibenzofuran-1,3,4,6,7,8-d6
JH919142	2-bromo-6-chloro-9H-carbazole-1,3,4,5,7,8-d6
JH916281	Z, Z-Dienestrol-d6