Cas no 10036-21-2 (Benzenepropanoic acid, 3-(ethoxycarbonyl)-, ethyl ester)
10036-21-2 structure
Product Name:Benzenepropanoic acid, 3-(ethoxycarbonyl)-, ethyl ester
CAS No:10036-21-2
MF:C14H18O4
MW:250.290324687958
CID:3548538
PubChem ID:2780347
Update Time:2025-04-22
Benzenepropanoic acid, 3-(ethoxycarbonyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanoic acid, 3-(ethoxycarbonyl)-, ethyl ester
- DTXSID601269506
- 10036-21-2
- Ethyl 3-(ethoxycarbonyl)benzenepropanoate
-
- Inchi： 1S/C14H18O4/c1-3-17-13(15)9-8-11-6-5-7-12(10-11)14(16)18-4-2/h5-7,10H,3-4,8-9H2,1-2H3
- InChI Key： HDGSRVUQMHJTDH-UHFFFAOYSA-N
- SMILES： O(CC)C(CCC1C=CC=C(C(=O)OCC)C=1)=O
Computed Properties
- Exact Mass: 250.120509g/mol
- Monoisotopic Mass: 250.120509g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 8
- Complexity: 275
- 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
- Molecular Weight: 250.29g/mol
- XLogP3: 2.6
- Topological Polar Surface Area: 52.6?2
Benzenepropanoic acid, 3-(ethoxycarbonyl)-, ethyl ester Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
10036-21-2 (Benzenepropanoic acid, 3-(ethoxycarbonyl)-, ethyl ester) Related Products
- 84-74-2(Dibutyl phthalate)
- 76-67-5(Diethyl ethylphenylmalonate)
- 83-13-6(Diethyl phenylmalonate)
- 84-66-2(Diethyl phtalate)
- 77-83-8(Ethyl 3-methyl-3-phenylglycidate)
- 81-30-1(1,4,5,8-Naphthalenetetracarboxylic dianhydride)
- 84-61-7(Dicyclohexyl phthalate)
- 84-76-4(Dinonyl phthalate)
- 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)
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