Cas no 105373-99-7 (Benzoic acid, 3-cyano-2-methoxy-, ethyl ester)
105373-99-7 structure
Product Name:Benzoic acid, 3-cyano-2-methoxy-, ethyl ester
CAS No:105373-99-7
MF:C11H11NO3
MW:205.209943056107
CID:1153164
PubChem ID:13708916
Update Time:2025-04-20
Benzoic acid, 3-cyano-2-methoxy-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-cyano-2-methoxy-, ethyl ester
- DB-108810
- 105373-99-7
- KCCLMESCYFWIGA-UHFFFAOYSA-N
- SCHEMBL17077586
- ethyl 3-cyano-2-methoxybenzoate
-
- Inchi： 1S/C11H11NO3/c1-3-15-11(13)9-6-4-5-8(7-12)10(9)14-2/h4-6H,3H2,1-2H3
- InChI Key： KCCLMESCYFWIGA-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=CC=C(C#N)C=1OC)=O
Computed Properties
- Exact Mass: 205.07389321g/mol
- Monoisotopic Mass: 205.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 268
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 59.3?2
Benzoic acid, 3-cyano-2-methoxy-, ethyl ester Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
105373-99-7 (Benzoic acid, 3-cyano-2-methoxy-, ethyl ester) Related Products
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- 25978-74-9(Methyl 3-cyano-4-methoxybenzoate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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