Cas no 1257397-46-8 (Methyl 2-(4-forMyl-3-hydroxyphenyl)propanoate)
1257397-46-8 structure
Product Name:Methyl 2-(4-forMyl-3-hydroxyphenyl)propanoate
CAS No:1257397-46-8
MF:C11H12O4
MW:208.210583686829
CID:2147042
Update Time:2023-11-19
Methyl 2-(4-forMyl-3-hydroxyphenyl)propanoate Chemical and Physical Properties
Names and Identifiers
-
- methyl 2-(4-formyl-3-hydroxyphenyl)propanoate
- (R)-Methyl 2-(4-formyl-3-hydroxyphenyl)propanoate
- CID 87444660
- Benzeneacetic acid, 4-formyl-3-hydroxy-α-methyl-, methyl ester
- Methyl 2-(4-forMyl-3-hydroxyphenyl)propanoate
-
- Inchi： 1S/C11H12O4/c1-7(11(14)15-2)8-3-4-9(6-12)10(13)5-8/h3-7,13H,1-2H3
- InChI Key： FDWYLRZOWXTGQS-UHFFFAOYSA-N
- SMILES： O(C)C(C(C)C1C=CC(C=O)=C(C=1)O)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 239
- Topological Polar Surface Area: 63.6
Experimental Properties
- Density: 1.227±0.06 g/cm3(Predicted)
- Boiling Point: 324.4±27.0 °C(Predicted)
- pka: 7.96±0.10(Predicted)
Methyl 2-(4-forMyl-3-hydroxyphenyl)propanoate Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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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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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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