Cas no 88663-63-2 (Heptanoic acid, 7-methoxy-)
Heptanoic acid, 7-methoxy- structure
Product Name:Heptanoic acid, 7-methoxy-
CAS No:88663-63-2
MF:C8H16O3
MW:160.210843086243
CID:625114
PubChem ID:15409528
Update Time:2025-04-19
Heptanoic acid, 7-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Heptanoic acid, 7-methoxy-
- 7-methoxyheptanoic acid
- SCHEMBL2137289
- WSJPNWVGZMMYPQ-UHFFFAOYSA-N
- DTXSID00572510
- 88663-63-2
- CH3O(CH2)6COOH
-
- Inchi： 1S/C8H16O3/c1-11-7-5-3-2-4-6-8(9)10/h2-7H2,1H3,(H,9,10)
- InChI Key： WSJPNWVGZMMYPQ-UHFFFAOYSA-N
- SMILES： O(C)CCCCCCC(=O)O
Computed Properties
- Exact Mass: 160.109944368g/mol
- Monoisotopic Mass: 160.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 7
- Complexity: 102
- 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: 0
- Topological Polar Surface Area: 46.5?2
Heptanoic acid, 7-methoxy- Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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