Cas no 97547-93-8 (5-benzoylpentanoic acid)
5-benzoylpentanoic acid structure
Product Name:5-benzoylpentanoic acid
CAS No:97547-93-8
MF:C12H14O3
MW:206.237763881683
CID:860697
PubChem ID:523198
Update Time:2025-04-19
5-benzoylpentanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 5-benzoylpentanoic acid
- benzyl 5-oxopentanoate
- LOGJGIGNTMIGTB-UHFFFAOYSA-N
- 97547-93-8
- 4-(benzyloxycarbonyl)butyraldehyde
- SCHEMBL3638266
- A1-02022
-
- MDL： MFCD11975808
- Inchi： 1S/C12H14O3/c13-9-5-4-8-12(14)15-10-11-6-2-1-3-7-11/h1-3,6-7,9H,4-5,8,10H2
- InChI Key： LOGJGIGNTMIGTB-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)C(CCCC=O)=O
Computed Properties
- Exact Mass: 206.094294304g/mol
- Monoisotopic Mass: 206.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 195
- 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: 43.4?2
5-benzoylpentanoic acid Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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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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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
97547-93-8 (5-benzoylpentanoic acid) Related Products
- 103-40-2(Succinic Acid Monobenzyl Ester)
- 140-24-9(Dibenzyl sebacate)
- 31161-71-4(Tetradecanoic acid,phenylmethyl ester)
- 103-43-5(dibenzyl succinate)
- 5396-89-4(Benzyl acetoacetate)
- 103-38-8(Benzyl isovalerate FCC)
- 103-37-7(Benzyl butyrate)
- 3089-55-2(Benzyl octyl adipate)
- 2451-84-5(Dibenzyl adipate)
- 189625-51-2(Octadecanedioic acid,1-(phenylmethyl) ester)
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