Cas no 144707-86-8 (Benzenepropanoic acid,4-(methoxycarbonyl)-, ethyl ester)
144707-86-8 structure
Product Name:Benzenepropanoic acid,4-(methoxycarbonyl)-, ethyl ester
CAS No:144707-86-8
MF:C13H16O4
MW:236.263744354248
CID:108856
Update Time:2024-01-24
Benzenepropanoic acid,4-(methoxycarbonyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanoic acid,4-(methoxycarbonyl)-, ethyl ester
- Benzenepropanoic acid, 4-(methoxycarbonyl)-, ethyl ester (9CI)
- Benzenepropanoic acid, 4-(methoxycarbonyl)-, ethyl ester
- methyl 4-(3-ethoxy-3-oxopropyl)benzoate
-
- Inchi： 1S/C13H16O4/c1-3-17-12(14)9-6-10-4-7-11(8-5-10)13(15)16-2/h4-5,7-8H,3,6,9H2,1-2H3
- InChI Key： RNKZCXJVJCNJQF-UHFFFAOYSA-N
- SMILES： C1(CCC(OCC)=O)=CC=C(C(OC)=O)C=C1
Computed Properties
- Exact Mass: 236.10488
- Monoisotopic Mass: 236.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 254
- 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: 2.6
- Topological Polar Surface Area: 52.6A^2
Experimental Properties
- PSA: 52.6
Benzenepropanoic acid,4-(methoxycarbonyl)-, ethyl ester Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
144707-86-8 (Benzenepropanoic acid,4-(methoxycarbonyl)-, ethyl ester) Related Products
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- 114837-81-9(Ethyl 3-(3-oxopropyl)benzoate)
- 155877-84-2(Benzenepropanoic acid, 4-(methoxycarbonyl)-b-oxo-, ethyl ester)
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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