Cas no 90646-75-6 (4-Pentenoic acid, 2,4-dimethyl-, ethyl ester)
90646-75-6 structure
Product Name:4-Pentenoic acid, 2,4-dimethyl-, ethyl ester
CAS No:90646-75-6
MF:C9H16O2
MW:156.222143173218
CID:1958498
PubChem ID:19422782
Update Time:2025-04-21
4-Pentenoic acid, 2,4-dimethyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Pentenoic acid, 2,4-dimethyl-, ethyl ester
- ethyl 2,4-dimethylpent-4-enoate
- 90646-75-6
- DTXSID00598694
- SCHEMBL9079716
-
- Inchi： 1S/C9H16O2/c1-5-11-9(10)8(4)6-7(2)3/h8H,2,5-6H2,1,3-4H3
- InChI Key： XNSTVAFSRSRYQC-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C)CC(=C)C)=O
Computed Properties
- Exact Mass: 156.115
- Monoisotopic Mass: 156.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 150
- 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
- Topological Polar Surface Area: 26.3A^2
- XLogP3: 2.7
4-Pentenoic acid, 2,4-dimethyl-, ethyl ester Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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