Cas no 42330-40-5 (Heptanoic acid, 3-ethyl-, (S)-)
42330-40-5 structure
Product Name:Heptanoic acid, 3-ethyl-, (S)-
CAS No:42330-40-5
MF:C9H18O2
MW:158.238023281097
CID:2637383
Update Time:2023-08-07
Heptanoic acid, 3-ethyl-, (S)- Chemical and Physical Properties
Names and Identifiers
-
- (?)-3-Ethylenanthic acid
- Heptanoic acid, 3-ethyl-, (S)-
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- Inchi： 1S/C9H18O2/c1-3-5-6-8(4-2)7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)/t8-/m0/s1
- InChI Key： MCLMZMISZCYBBG-QMMMGPOBSA-N
- SMILES： OC(C[C@@H](CC)CCCC)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 110
- Topological Polar Surface Area: 37.3
Heptanoic acid, 3-ethyl-, (S)- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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