Cas no 107694-22-4 (3-Oxobutyric Acid Methyl-d3 Ester)
107694-22-4 structure
Product Name:3-Oxobutyric Acid Methyl-d3 Ester
CAS No:107694-22-4
MF:C5H8O3
MW:119.133707046509
CID:127651
PubChem ID:45039867
Update Time:2025-08-04
3-Oxobutyric Acid Methyl-d3 Ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 3-oxo-,methyl-d3 ester (9CI)
- Methyl-d3 3-Oxobutanoate
- 3-Oxobutyric Acid Me
- 3-OXOBUTYRIC ACID METHYL-D3 ESTER
- trideuteriomethyl 3-oxobutanoate
- Methyl-d3 3-Oxobutyrate
- WRQNANDWMGAFTP-BMSJAHLVSA-N
- Acetoacetate methyl-d3 Ester
- 3-Oxobutanoic Acid Methyl-d3 Ester
- SCHEMBL13916846
- DTXSID70662114
- (?H?)methyl 3-oxobutanoate
- 107694-22-4
- J-002000
- AKOS025294057
- (~2~H_3_)Methyl 3-oxobutanoate
- Butanoic acid, 3-oxo-, methyl-d3 ester; 3-Oxobutyric acid methyl-d3 ester; Acetoacetic acid methyl-D3 ester
- 3-Oxobutyric Acid Methyl-d3 Ester
-
- Inchi： 1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3/i2D3
- InChI Key： WRQNANDWMGAFTP-BMSJAHLVSA-N
- SMILES： O(C([2H])([2H])[2H])C(CC(C)=O)=O
Computed Properties
- Exact Mass: 119.06600
- Monoisotopic Mass: 119.066
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 106
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 43.4A^2
- XLogP3: 0
Experimental Properties
- PSA: 43.37000
- LogP: 0.13850
3-Oxobutyric Acid Methyl-d3 Ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | O848427-10mg |
3-Oxobutyric Acid Methyl-d3 Ester |
107694-22-4 | 10mg |
$ 161.00 | 2023-09-06 | ||
| TRC | O848427-100mg |
3-Oxobutyric Acid Methyl-d3 Ester |
107694-22-4 | 100mg |
$ 1206.00 | 2023-09-06 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-207881-10 mg |
Methyl-d3 3-Oxobutanoate, |
107694-22-4 | 10mg |
￥2,482.00 | 2023-07-10 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-207881-10mg |
Methyl-d3 3-Oxobutanoate, |
107694-22-4 | 10mg |
￥2482.00 | 2023-09-05 |
3-Oxobutyric Acid Methyl-d3 Ester Related Literature
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
107694-22-4 (3-Oxobutyric Acid Methyl-d3 Ester) Related Products
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- 100548-44-5(Butanoic-4-13C acid,3-oxo-, ethyl ester (9CI))
- 1779-60-8(Propyl Acetoacetate)
- 30414-53-0(Methyl 3-oxopentanoate)
- 30414-54-1(Methyl 3-oxohexanoate)
- 1830-54-2(Dimethyl acetone-1,3-dicarboxylate)
- 22348-96-5(Methyl 3-Oxodecanoate)
- 14531-34-1(Octadecanoic acid, 3-oxo-, methyl ester)
- 105-45-3(methyl 3-oxobutanoate)
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