Cas no 68350-76-5 (2-Propenoic acid, 2-cyano-3-methoxy-, ethyl ester)
68350-76-5 structure
Product Name:2-Propenoic acid, 2-cyano-3-methoxy-, ethyl ester
CAS No:68350-76-5
MF:C7H9NO3
MW:155.151262044907
CID:393348
PubChem ID:53984040
Update Time:2025-04-19
2-Propenoic acid, 2-cyano-3-methoxy-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 2-cyano-3-methoxy-, ethyl ester
- 2-Cyano-3-Methoxy-Acrylic Acid Ethyl Ester
- ethyl 2-cyano-3-methoxyprop-2-enoate
- 68350-76-5
- SY324881
- MFCD28015631
- DTXSID80708153
- ethyl 2-cyano-3-methoxyacrylate
-
- Inchi： 1S/C7H9NO3/c1-3-11-7(9)6(4-8)5-10-2/h5H,3H2,1-2H3
- InChI Key： KAFVHDPIBCRLNV-UHFFFAOYSA-N
- SMILES： O(C(C(C#N)=COC)=O)CC
Computed Properties
- Exact Mass: 155.05827
- Monoisotopic Mass: 155.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 211
- 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: 0.6
- Topological Polar Surface Area: 59.3?2
Experimental Properties
- PSA: 59.32
2-Propenoic acid, 2-cyano-3-methoxy-, ethyl ester Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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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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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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