Cas no 104629-55-2 (2-Butenedioic acid, 2-hydroxy-, dimethyl ester)
104629-55-2 structure
Product Name:2-Butenedioic acid, 2-hydroxy-, dimethyl ester
CAS No:104629-55-2
MF:C6H8O5
MW:160.124722480774
CID:1145539
PubChem ID:71333264
Update Time:2025-04-20
2-Butenedioic acid, 2-hydroxy-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenedioic acid, 2-hydroxy-, dimethyl ester
- dimethyl 2-hydroxybut-2-enedioate
- SY355512
- DTXSID90761552
- 104629-55-2
- 1,4-DIMETHYL 2-HYDROXYBUT-2-ENEDIOATE
- D88170
-
- Inchi： 1S/C6H8O5/c1-10-5(8)3-4(7)6(9)11-2/h3,7H,1-2H3
- InChI Key： BAPVQDFPFGCSEC-UHFFFAOYSA-N
- SMILES： O(C)C(C(=CC(=O)OC)O)=O
Computed Properties
- Exact Mass: 160.03714
- Monoisotopic Mass: 160.03717335g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 193
- 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: 72.8?2
Experimental Properties
- PSA: 72.83
2-Butenedioic acid, 2-hydroxy-, dimethyl ester Related Literature
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
104629-55-2 (2-Butenedioic acid, 2-hydroxy-, dimethyl ester) Related Products
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