Cas no 36219-63-3 ( )
structure
Product Name:
CAS No:36219-63-3
MF:C9H16O3
MW:172.221543312073
CID:921136
PubChem ID:260099
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- ethyl 4-ethoxypent-3-enoate
- (enol-Form) Laevulinsaeure-aethylester-aethylaether
- 4-Aethoxy-pent-3-ensaeure-aethylester
- 4-ethoxy-pent-3-enoic acid ethyl ester
- AC1L62FY
- AG-F-26120
- AG-K-94538
- CTK4H6093
- CTK6F2670
- ethyl (Z)-4-ethoxypent-3-enoate
- NCIOpen2_001290
- DTXSID40293611
- 36219-63-3
-
-
- Inchi: 1S/C9H16O3/c1-4-11-8(3)6-7-9(10)12-5-2/h6H,4-5,7H2,1-3H3
- InChI Key: NGUVFUGLZIFBBP-UHFFFAOYSA-N
- SMILES: O(CC)C(C)=CCC(=O)OCC
Computed Properties
- Exact Mass: 172.10998
- Monoisotopic Mass: 172.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 161
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.6
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
- LogP: 1.87990
Related Literature
-
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
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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