Cas no 68160-93-0 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
-
- methyl 6-oxopyran-2-carboxylate
- 6-carbomethoxy-1,2-pyrone
- 6-carbomethoxy-2-pyrone
- 6-Oxo-6H-pyran-2-carbonsaeure-methylester
- 6-oxo-6H-pyran-2-carboxylic acid methyl ester
- methyl 2-oxo-2h-pyran-6-carboxylate
- methyl 2-pyrone-6-carboxylate
- 68160-93-0
- DTXSID70300120
- NSC134983
- NSC-134983
- DS-001630
-
-
- Inchi： 1S/C7H6O4/c1-10-7(9)5-3-2-4-6(8)11-5/h2-4H,1H3
- InChI Key： DXPRWQHGCIFHHO-UHFFFAOYSA-N
- SMILES： O1C(C=CC=C1C(=O)OC)=O
Computed Properties
- Exact Mass: 154.02700
- Monoisotopic Mass: 154.02660867g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 249
- 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: 0.8
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 56.51000
- LogP: 0.42640
Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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3. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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4. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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