Cas no 1190391-39-9 (Benzyl 3-ethoxycarbonylmethylbenzoate)
1190391-39-9 structure
Product Name:Benzyl 3-ethoxycarbonylmethylbenzoate
CAS No:1190391-39-9
MF:C18H18O4
MW:298.333125591278
CID:2126054
PubChem ID:23033590
Update Time:2024-03-01
Benzyl 3-ethoxycarbonylmethylbenzoate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 2-(3-(benzyloxycarbonyl)phenyl)acetate
- AROLOWFJFYLDSY-UHFFFAOYSA-N
- benzyl 3-ethoxycarbonylmethylbenzoate
- Benzyl 3-ethoxycarbonylmethylbenzoate
-
- Inchi： 1S/C18H18O4/c1-2-21-17(19)12-15-9-6-10-16(11-15)18(20)22-13-14-7-4-3-5-8-14/h3-11H,2,12-13H2,1H3
- InChI Key： AROLOWFJFYLDSY-UHFFFAOYSA-N
- SMILES： O(C(C1=CC=CC(=C1)CC(=O)OCC)=O)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 298.12050905g/mol
- Monoisotopic Mass: 298.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 8
- Complexity: 360
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52.6
- XLogP3: 3.4
Benzyl 3-ethoxycarbonylmethylbenzoate Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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