Cas no 104893-44-9 (Pentanoic acid, 4-methyl-2,3-dioxo-, ethyl ester)
104893-44-9 structure
Product Name:Pentanoic acid, 4-methyl-2,3-dioxo-, ethyl ester
CAS No:104893-44-9
MF:C8H12O4
MW:172.178483009338
CID:1149716
PubChem ID:13511503
Update Time:2025-04-20
Pentanoic acid, 4-methyl-2,3-dioxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid, 4-methyl-2,3-dioxo-, ethyl ester
- 4-methyl-2,3-dioxo-pentanoic acid ethyl ester
- 104893-44-9
- NFZJVUFZBHQSHK-UHFFFAOYSA-N
- DB-367882
- SCHEMBL5578317
-
- Inchi： 1S/C8H12O4/c1-4-12-8(11)7(10)6(9)5(2)3/h5H,4H2,1-3H3
- InChI Key： NFZJVUFZBHQSHK-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(C(C)C)=O)=O)=O
Computed Properties
- Exact Mass: 172.07355886g/mol
- Monoisotopic Mass: 172.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 205
- 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: 1.3
- Topological Polar Surface Area: 60.4?2
Pentanoic acid, 4-methyl-2,3-dioxo-, ethyl ester Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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