Cas no 89898-52-2 (2-Hexenedioic acid, 6-methyl ester)
89898-52-2 structure
Product Name:2-Hexenedioic acid, 6-methyl ester
CAS No:89898-52-2
MF:C7H9O4
MW:157.143962621689
CID:585709
PubChem ID:71326807
Update Time:2025-04-19
2-Hexenedioic acid, 6-methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Hexenedioic acid, 6-methyl ester
- 6-methoxy-6-oxohex-2-enoate
- 89898-52-2
- DTXSID70755939
-
- Inchi： 1S/C7H10O4/c1-11-7(10)5-3-2-4-6(8)9/h2,4H,3,5H2,1H3,(H,8,9)/p-1
- InChI Key： HBZOSRCVWPAGOA-UHFFFAOYSA-M
- SMILES： O(C)C(CCC=CC(=O)[O-])=O
Computed Properties
- Exact Mass: 157.05008376g/mol
- Monoisotopic Mass: 157.05008376g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 166
- 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: 1
- Topological Polar Surface Area: 66.4?2
2-Hexenedioic acid, 6-methyl ester Related Literature
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Jason Wan Lab Chip, 2020,20, 4528-4538
89898-52-2 (2-Hexenedioic acid, 6-methyl ester) Related Products
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