Cas no 90139-25-6 (Benzoic acid, 4-ethyl-, 1-phenylethyl ester)
90139-25-6 structure
Product Name:Benzoic acid, 4-ethyl-, 1-phenylethyl ester
CAS No:90139-25-6
MF:C17H18O2
MW:254.323625087738
CID:793473
PubChem ID:71430127
Update Time:2025-04-19
Benzoic acid, 4-ethyl-, 1-phenylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-ethyl-, 1-phenylethyl ester
- 1-phenylethyl 4-ethylbenzoate
- 90139-25-6
- DTXSID30848775
-
- Inchi： 1S/C17H18O2/c1-3-14-9-11-16(12-10-14)17(18)19-13(2)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3
- InChI Key： IRQDXCBSFNCMKI-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(=CC=1)CC)=O)C(C)C1C=CC=CC=1
Computed Properties
- Exact Mass: 254.130679813g/mol
- Monoisotopic Mass: 254.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 273
- 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: 4.5
- Topological Polar Surface Area: 26.3?2
Benzoic acid, 4-ethyl-, 1-phenylethyl ester Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
90139-25-6 (Benzoic acid, 4-ethyl-, 1-phenylethyl ester) Related Products
- 36207-13-3(Ethyl 4-ethylbenzoate)
- 93-92-5(Styralyl Acetate)
- 79322-76-2(Methyl 4-(1-hydroxyethyl)benzoate)
- 84851-56-9(Methyl 4-(1-hydroxyethyl)benzoate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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