Cas no 63857-19-2 (Methyl 2-benzyl-3-oxopropanoate)
63857-19-2 structure
Product Name:Methyl 2-benzyl-3-oxopropanoate
CAS No:63857-19-2
MF:C11H12O3
MW:192.211183547974
CID:425563
Update Time:2023-08-03
Methyl 2-benzyl-3-oxopropanoate Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanoic acid, a-formyl-, methyl ester
- methyl 2-formyl-3-phenylpropanoate
- methyl 2-benzyl-3-oxopropanoate
- BEEJALPUCUEZOU-UHFFFAOYSA-N
- alpha-Formylbenzenepropionic acid methyl ester
- Benzenepropanoic acid, alpha-formyl-, methyl ester
- Methyl 2-benzyl-3-oxopropanoate
-
- Inchi： 1S/C11H12O3/c1-14-11(13)10(8-12)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
- InChI Key： BEEJALPUCUEZOU-UHFFFAOYSA-N
- SMILES： O(C)C(C(C=O)CC1C=CC=CC=1)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 195
- Topological Polar Surface Area: 43.4
Methyl 2-benzyl-3-oxopropanoate Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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