Cas no 148407-41-4 (2-Oxiranecarboxylicacid, 3-nonyl-, (2S,3R)-)
148407-41-4 structure
Product Name:2-Oxiranecarboxylicacid, 3-nonyl-, (2S,3R)-
CAS No:148407-41-4
MF:C12H22O3
MW:214.301284313202
CID:188720
PubChem ID:451587
Update Time:2025-04-19
2-Oxiranecarboxylicacid, 3-nonyl-, (2S,3R)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Oxiranecarboxylicacid, 3-nonyl-, (2S,3R)-
- Oxiranecarboxylic acid, 3-nonyl-, (2S-trans)-
- (2S,3R)-3-nonyloxirane-2-carboxylic acid
- DTXSID20163984
- 148407-41-4
- (2S-trans)-Epoxydodecenoic acid
- SCHEMBL5194066
-
- Inchi： 1S/C12H22O3/c1-2-3-4-5-6-7-8-9-10-11(15-10)12(13)14/h10-11H,2-9H2,1H3,(H,13,14)/t10-,11+/m1/s1
- InChI Key： GKFRIEODGWKPMO-MNOVXSKESA-N
- SMILES： O1[C@H](C(=O)O)[C@H]1CCCCCCCCC
Computed Properties
- Exact Mass: 214.15696
- Monoisotopic Mass: 214.157
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 9
- Complexity: 191
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4
- Topological Polar Surface Area: 49.8?2
Experimental Properties
- Density: 1.022
- Boiling Point: 331.9°C at 760 mmHg
- Flash Point: 120.3°C
- Refractive Index: 1.471
- PSA: 49.83
2-Oxiranecarboxylicacid, 3-nonyl-, (2S,3R)- Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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