Cas no 5448-53-3 (Benzoicacid, 3-methyl-, 2-methoxyethyl ester)
5448-53-3 structure
Product Name:Benzoicacid, 3-methyl-, 2-methoxyethyl ester
CAS No:5448-53-3
MF:C11H14O3
MW:194.227063655853
CID:385772
PubChem ID:226908
Update Time:2025-04-19
Benzoicacid, 3-methyl-, 2-methoxyethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoicacid, 3-methyl-, 2-methoxyethyl ester
- NSC-17892
- 5448-53-3
- 3-Methylbenzoic acid, 2-methoxyethyl ester
- DTXSID50969658
- 2-methoxyethyl 3-methylbenzoate
- XQEGCLXAOFSBBE-UHFFFAOYSA-N
- NSC17892
-
- Inchi： 1S/C11H14O3/c1-9-4-3-5-10(8-9)11(12)14-7-6-13-2/h3-5,8H,6-7H2,1-2H3
- InChI Key： XQEGCLXAOFSBBE-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=C(C)C=1)=O)CCOC
Computed Properties
- Exact Mass: 194.09432
- Monoisotopic Mass: 194.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 179
- 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: 35.5?2
Experimental Properties
- PSA: 35.53
Benzoicacid, 3-methyl-, 2-methoxyethyl ester Related Literature
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
5448-53-3 (Benzoicacid, 3-methyl-, 2-methoxyethyl 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)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
Recommended suppliers
上海嶸奧生物技術有限公司
Gold Member
Audited Supplier
CN Supplier
Reagent
Shaanxi pure crystal photoelectric technology co. LTD
Gold Member
Audited Supplier
CN Supplier
Reagent
Shanghai Jinhuan Chemical CO., LTD.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Joy Biotech Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
