Cas no 90327-12-1 (Benzoic acid, 4-methyl-, 2-(2-ethoxyethoxy)ethyl ester)
90327-12-1 structure
Product Name:Benzoic acid, 4-methyl-, 2-(2-ethoxyethoxy)ethyl ester
CAS No:90327-12-1
MF:C14H20O4
MW:252.306204795837
CID:789353
PubChem ID:53698261
Update Time:2025-04-19
Benzoic acid, 4-methyl-, 2-(2-ethoxyethoxy)ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-methyl-, 2-(2-ethoxyethoxy)ethyl ester
- 2-(2-ethoxyethoxy)ethyl 4-methylbenzoate
- 90327-12-1
- DTXSID80706033
-
- Inchi： 1S/C14H20O4/c1-3-16-8-9-17-10-11-18-14(15)13-6-4-12(2)5-7-13/h4-7H,3,8-11H2,1-2H3
- InChI Key： BSBNNCDRFPSDKG-UHFFFAOYSA-N
- SMILES： O(CCOC(C1C=CC(C)=CC=1)=O)CCOCC
Computed Properties
- Exact Mass: 252.136
- Monoisotopic Mass: 252.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 9
- Complexity: 222
- 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: 44.8?2
Benzoic acid, 4-methyl-, 2-(2-ethoxyethoxy)ethyl ester Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
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
90327-12-1 (Benzoic acid, 4-methyl-, 2-(2-ethoxyethoxy)ethyl ester) Related Products
- 120-51-4(Benzyl benzoate)
- 1679-64-7(Mono-Methyl terephthalate)
- 99-75-2(Methyl p-Toluate)
- 1459-93-4(Dimethyl isophthalate)
- 1877-71-0(Monomethyl Isophthalate)
- 93-97-0(Benzoic anhydride)
- 94-08-6(Ethyl p-toluate)
- 117-82-8(Bis(2-methoxyethyl) phthalate)
- 99-36-5(Methyl 3-methylbenzoate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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