Cas no 166037-21-4 ((Z)-(s)-7-chloro-2-(2,2-dimethyl-cyclopropanecarboxamido)-2-heptenoic acid)
166037-21-4 structure
Product Name:(Z)-(s)-7-chloro-2-(2,2-dimethyl-cyclopropanecarboxamido)-2-heptenoic acid
CAS No:166037-21-4
MF:C13H20ClNO3
MW:273.755803108215
CID:2190144
PubChem ID:11587667
Update Time:2025-04-21
(Z)-(s)-7-chloro-2-(2,2-dimethyl-cyclopropanecarboxamido)-2-heptenoic acid Chemical and Physical Properties
Names and Identifiers
-
- (Z)-(s)-7-chloro-2-(2,2-dimethyl-cyclopropanecarboxamido)-2-heptenoic acid
- AKOS015904234
- SCHEMBL278792
- 166037-21-4
- (2Z)?-7-?Chloro-?2-?[[[(1S)?-?2,?2-?dimethylcyclopropyl]?carbonyl]?amino]?-?2-?heptenoic Acid
- (S,Z)-7-chloro-2-(2,2-dimethylcyclopropane-1-carboxamido)hept-2-enoic acid
- 7-chloro-2-((((1s)-2,2-dimethylcyclopropyl)carbonyl)amino)-2-heptenoic acid
- (S,Z)-7-Chloro-2-(2,2-dimethylcyclopropanecarboxamido)hept-2-enoic acid
- (Z)-7-chloro-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid
- 877674-77-6
- (2Z)-7-Chloro-2-[[[(1S)-2,2-dimethylcyclopropyl]carbonyl]amino]-2-heptenoic acid
- 7-Chloro-2-[[[(1S)-2,2-dimethylcyclopropyl]carbonyl]amino]-2-heptenoic acid
- DB-300146
- DTXSID401133662
-
- Inchi： 1S/C13H20ClNO3/c1-13(2)8-9(13)11(16)15-10(12(17)18)6-4-3-5-7-14/h6,9H,3-5,7-8H2,1-2H3,(H,15,16)(H,17,18)/b10-6-/t9-/m1/s1
- InChI Key： OTSSACCOAAGLRY-WPVMNKCKSA-N
- SMILES： ClCCCC/C=C(/C(=O)O)\NC([C@H]1CC1(C)C)=O
Computed Properties
- Exact Mass: 273.1131712Da
- Monoisotopic Mass: 273.1131712Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 363
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 66.4?2
(Z)-(s)-7-chloro-2-(2,2-dimethyl-cyclopropanecarboxamido)-2-heptenoic acid Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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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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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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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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