Cas no 86396-16-9 (Butanoic acid, 2,3-dioxo-, methyl ester (9CI))
86396-16-9 structure
Product Name:Butanoic acid, 2,3-dioxo-, methyl ester (9CI)
CAS No:86396-16-9
MF:C5H6O4
MW:130.098742008209
CID:991592
PubChem ID:11829462
Update Time:2025-04-20
Butanoic acid, 2,3-dioxo-, methyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 2,3-dioxo-, methyl ester (9CI)
- methyl pyruvoyl formate
- Methyl 2,3-dioxobutanoate
- AKOS017514230
- 86396-16-9
- SCHEMBL5269839
-
- Inchi： 1S/C5H6O4/c1-3(6)4(7)5(8)9-2/h1-2H3
- InChI Key： QMPAVHOWLGXEAB-UHFFFAOYSA-N
- SMILES： O(C)C(C(C(C)=O)=O)=O
Computed Properties
- Exact Mass: 130.02660867g/mol
- Monoisotopic Mass: 130.02660867g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 158
- 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
- XLogP3: -0.1
- Topological Polar Surface Area: 60.4?2
Butanoic acid, 2,3-dioxo-, methyl ester (9CI) Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
86396-16-9 (Butanoic acid, 2,3-dioxo-, methyl ester (9CI)) Related Products
- 108-56-5(Diethyl 2-oxobutanedioate)
- 25007-54-9(1,4-dimethyl 2-oxobutanedioate)
- 20577-61-1(Methyl 2,4-dioxopentanoate)
- 13192-04-6(Dimethyl 2-Ketoglutaconate)
- 41051-15-4(methyl 4-methoxy-3-oxobutanoate)
- 3952-66-7(Methyl 2-oxobutanoate)
- 13192-05-7(4-Methoxy-2,4-dioxobutanoic acid)
- 1723-25-7(Ethyl 2,3-dioxobutanoate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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