Cas no 40630-07-7 (Methyl 3-formylpentanoate)
Methyl 3-formylpentanoate structure
Product Name:Methyl 3-formylpentanoate
CAS No:40630-07-7
MF:C7H12O3
MW:144.168382644653
CID:2826451
PubChem ID:11084006
Update Time:2025-04-21
Methyl 3-formylpentanoate Chemical and Physical Properties
Names and Identifiers
-
- KHJXZEQLODIMJX-UHFFFAOYSA-N
- DB-172112
- Methyl 3-formylpentanoate
- SCHEMBL2137700
- 40630-07-7
- DTXSID60454540
-
- Inchi： 1S/C7H12O3/c1-3-6(5-8)4-7(9)10-2/h5-6H,3-4H2,1-2H3
- InChI Key： KHJXZEQLODIMJX-UHFFFAOYSA-N
- SMILES： O(C)C(CC(C=O)CC)=O
Computed Properties
- Exact Mass: 144.078644241Da
- Monoisotopic Mass: 144.078644241Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 120
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.4
- Topological Polar Surface Area: 43.4?2
Methyl 3-formylpentanoate Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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