Cas no 338974-22-4 (Pentanoic acid, 2-methyl-4-oxo-, methyl ester, (2R)- (9CI))
338974-22-4 structure
Product Name:Pentanoic acid, 2-methyl-4-oxo-, methyl ester, (2R)- (9CI)
CAS No:338974-22-4
MF:C7H12O3
MW:144.168382644653
CID:918532
PubChem ID:11286534
Update Time:2025-04-19
Pentanoic acid, 2-methyl-4-oxo-, methyl ester, (2R)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid, 2-methyl-4-oxo-, methyl ester, (2R)- (9CI)
- METHYL (2R)-2-METHYL-4-OXOPENTANOATE
- DB-255140
- SCHEMBL26157830
- (R,S)-2-Methyl-4-oxo-pentanoic acid methyl ester
- 338974-22-4
-
- Inchi： 1S/C7H12O3/c1-5(4-6(2)8)7(9)10-3/h5H,4H2,1-3H3/t5-/m1/s1
- InChI Key： IOKHSZMZBQKDGK-RXMQYKEDSA-N
- SMILES： O(C)C([C@H](C)CC(C)=O)=O
Computed Properties
- Exact Mass: 144.078644241g/mol
- Monoisotopic Mass: 144.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 140
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 43.4?2
Pentanoic acid, 2-methyl-4-oxo-, methyl ester, (2R)- (9CI) Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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4. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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