Cas no 1804238-99-0 (4-Methyl-3-propionylmandelic acid)
1804238-99-0 structure
Product Name:4-Methyl-3-propionylmandelic acid
CAS No:1804238-99-0
MF:C12H14O4
MW:222.237164020538
CID:4939360
Update Time:2023-08-22
4-Methyl-3-propionylmandelic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-Methyl-3-propionylmandelic acid
-
- Inchi： 1S/C12H14O4/c1-3-10(13)9-6-8(5-4-7(9)2)11(14)12(15)16/h4-6,11,14H,3H2,1-2H3,(H,15,16)
- InChI Key： SWLJZLJHPBESJV-UHFFFAOYSA-N
- SMILES： OC(C(=O)O)C1C=CC(C)=C(C(CC)=O)C=1
Computed Properties
- Exact Mass: 222.08920892 g/mol
- Monoisotopic Mass: 222.08920892 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 274
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 74.6
- Molecular Weight: 222.24
4-Methyl-3-propionylmandelic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A015027703-250mg |
4-Methyl-3-propionylmandelic acid |
1804238-99-0 | 97% | 250mg |
489.60 USD | 2021-06-17 | |
| Alichem | A015027703-500mg |
4-Methyl-3-propionylmandelic acid |
1804238-99-0 | 97% | 500mg |
847.60 USD | 2021-06-17 | |
| Alichem | A015027703-1g |
4-Methyl-3-propionylmandelic acid |
1804238-99-0 | 97% | 1g |
1,519.80 USD | 2021-06-17 |
4-Methyl-3-propionylmandelic acid Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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