Cas no 66267-00-3 (6-Heptenoic acid, 2-methyl-)
6-Heptenoic acid, 2-methyl- structure
Product Name:6-Heptenoic acid, 2-methyl-
CAS No:66267-00-3
MF:C8H14O2
MW:142.195562839508
CID:396593
PubChem ID:13128941
Update Time:2025-04-19
6-Heptenoic acid, 2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 6-Heptenoic acid, 2-methyl-
- 2-methylhept-6-enoic acid
- SCHEMBL3109520
- heptene-6-carboxylic acid
- AKOS006379394
- DTXSID10520466
- 66267-00-3
-
- Inchi： 1S/C8H14O2/c1-3-4-5-6-7(2)8(9)10/h3,7H,1,4-6H2,2H3,(H,9,10)
- InChI Key： IVIKGKAWCGPRBQ-UHFFFAOYSA-N
- SMILES： OC(C(C)CCCC=C)=O
Computed Properties
- Exact Mass: 142.09942
- Monoisotopic Mass: 142.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 118
- 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: 2.4
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
6-Heptenoic acid, 2-methyl- Related Literature
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
-
Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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