Cas no 63329-96-4 (5-Heptenoic acid, methyl ester)
63329-96-4 structure
Product Name:5-Heptenoic acid, methyl ester
CAS No:63329-96-4
MF:C8H14O2
MW:142.195562839508
CID:426791
PubChem ID:554050
Update Time:2025-04-19
5-Heptenoic acid, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Heptenoic acid, methyl ester
- methyl hept-5-enoate
- hex-2-ene-6-carboxylic acid methyl ester
- methyl-hept-5-enoate
- DTXSID30339138
- 63329-96-4
- ARLQDYZAXIPMJQ-UHFFFAOYSA-N
-
- Inchi： 1S/C8H14O2/c1-3-4-5-6-7-8(9)10-2/h3-4H,5-7H2,1-2H3
- InChI Key： ARLQDYZAXIPMJQ-UHFFFAOYSA-N
- SMILES： O(C)C(CCCC=CC)=O
Computed Properties
- Exact Mass: 142.09942
- Monoisotopic Mass: 142.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 116
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.1
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
5-Heptenoic acid, methyl ester Related Literature
-
Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
63329-96-4 (5-Heptenoic acid, methyl ester) Related Products
- 111-81-9(Methyl undec-10-enoate)
- 112-63-0(Methyl linoleate)
- 143485-69-2(13-Docosenoic acid,9-octadecen-1-yl ester)
- 76649-16-6(Ethyl trans-4-decenoate)
- 142-77-8(Butyl Oleate)
- 112-62-9(Methyl oleate)
- 108321-49-9(9-Hexadecenoic acid,dodecyl ester, (9Z)-)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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