Cas no 493004-95-8 (5-Nonenoic acid, 5-carboxy-1-propylpentyl ester)
493004-95-8 structure
Product Name:5-Nonenoic acid, 5-carboxy-1-propylpentyl ester
CAS No:493004-95-8
MF:C18H32O4
MW:312.444286346436
CID:1532758
PubChem ID:71362678
Update Time:2025-04-21
5-Nonenoic acid, 5-carboxy-1-propylpentyl ester Chemical and Physical Properties
Names and Identifiers
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- 5-Nonenoic acid, 5-carboxy-1-propylpentyl ester
- 6-non-5-enoyloxynonanoic acid
- DTXSID30786289
- 493004-95-8
- 6-[(Non-5-enoyl)oxy]nonanoic acid
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- Inchi： 1S/C18H32O4/c1-3-5-6-7-8-9-15-18(21)22-16(12-4-2)13-10-11-14-17(19)20/h6-7,16H,3-5,8-15H2,1-2H3,(H,19,20)
- InChI Key： RVXZYKJYFNJRJP-UHFFFAOYSA-N
- SMILES： O(C(CCCC=CCCC)=O)C(CCC)CCCCC(=O)O
Computed Properties
- Exact Mass: 312.23016
- Monoisotopic Mass: 312.23005950g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 15
- Complexity: 323
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 4.6
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- PSA: 63.6
5-Nonenoic acid, 5-carboxy-1-propylpentyl ester Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
493004-95-8 (5-Nonenoic acid, 5-carboxy-1-propylpentyl ester) Related Products
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