Cas no 107150-74-3 (Benzeneacetic acid, 3-(ethoxycarbonyl)-, ethyl ester)
107150-74-3 structure
Product Name:Benzeneacetic acid, 3-(ethoxycarbonyl)-, ethyl ester
CAS No:107150-74-3
MF:C13H16O4
MW:236.263744354248
CID:1182730
PubChem ID:86686209
Update Time:2025-04-20
Benzeneacetic acid, 3-(ethoxycarbonyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, 3-(ethoxycarbonyl)-, ethyl ester
- Ethyl 3-((ethoxycarbonyl)methyl)benzoate
- Ethyl 3-(2-ethoxy-2-oxoethyl)benzoate
- DB-208677
- KJOGCXZOFPACPX-UHFFFAOYSA-N
- SCHEMBL14993010
- 107150-74-3
-
- Inchi： 1S/C13H16O4/c1-3-16-12(14)9-10-6-5-7-11(8-10)13(15)17-4-2/h5-8H,3-4,9H2,1-2H3
- InChI Key： KJOGCXZOFPACPX-UHFFFAOYSA-N
- SMILES： O(CC)C(CC1C=CC=C(C(=O)OCC)C=1)=O
Computed Properties
- Exact Mass: 236.10488
- Monoisotopic Mass: 236.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 262
- 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
- XLogP3: 2.5
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Benzeneacetic acid, 3-(ethoxycarbonyl)-, ethyl ester Related Literature
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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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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
107150-74-3 (Benzeneacetic acid, 3-(ethoxycarbonyl)-, ethyl ester) Related Products
- 52787-14-1(4-Methoxycarbonylmethyl-benzoic Acid Methyl Ester)
- 14961-34-3(Ethyl 2-(2-ethoxy-2-oxoethyl)benzoate)
- 102-16-9(Benzyl phenylacetate)
- 22744-12-3(2-(4-methoxycarbonylphenyl)acetic acid)
- 43153-12-4(Ethyl 2-(4-formylphenyl)acetate)
- 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)
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