Cas no 38624-58-7 ( )
structure
Product Name:
CAS No:38624-58-7
MF:C6H10O3
MW:130.141802310944
CID:923763
PubChem ID:5384423
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- (Z)-3-ethoxybut-2-enoic acid
- 3-Aethoxy-2-butensaeure
- 3-Aethoxy-crotonsaeure
- 3-ethoxy-2-butenoic acid
- 3-ethoxycrotonic acid
- 3-ethoxy-crotonic acid
- AC1NTN5K
- NSC331762
- 38624-58-7
- SCHEMBL1586019
- NSC-331762
- DTXSID70419529
- 3-ethoxybut-2-enoic acid
-
-
- Inchi： 1S/C6H10O3/c1-3-9-5(2)4-6(7)8/h4H,3H2,1-2H3,(H,7,8)/b5-4-
- InChI Key： RUEVMNPCGMUKPP-PLNGDYQASA-N
- SMILES： O(/C(=C\C(=O)O)/C)CC
Computed Properties
- Exact Mass: 130.063
- Monoisotopic Mass: 130.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 126
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
- LogP: 1.01130
Related Literature
-
Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
-
Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
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