Cas no 90212-94-5 (2,4-Pentadienoic acid, 2,4-dimethoxy-, methyl ester)
90212-94-5 structure
Product Name:2,4-Pentadienoic acid, 2,4-dimethoxy-, methyl ester
CAS No:90212-94-5
MF:C8H12O4
MW:172.178483009338
CID:791775
PubChem ID:53689546
Update Time:2025-04-19
2,4-Pentadienoic acid, 2,4-dimethoxy-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Pentadienoic acid, 2,4-dimethoxy-, methyl ester
- methyl 2,4-dimethoxypenta-2,4-dienoate
- 90212-94-5
- DTXSID00705962
-
- Inchi： 1S/C8H12O4/c1-6(10-2)5-7(11-3)8(9)12-4/h5H,1H2,2-4H3
- InChI Key： BMHRLXCHQUOSBL-UHFFFAOYSA-N
- SMILES： O(C)C(C(=O)OC)=CC(=C)OC
Computed Properties
- Exact Mass: 172.074
- Monoisotopic Mass: 172.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 205
- 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: 1.3
- Topological Polar Surface Area: 44.8?2
2,4-Pentadienoic acid, 2,4-dimethoxy-, methyl ester Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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