Cas no 103323-96-2 (Benzoic acid, 3-ethoxy-2-methyl-)
103323-96-2 structure
Product Name:Benzoic acid, 3-ethoxy-2-methyl-
CAS No:103323-96-2
MF:C10H12O3
MW:180.200483322144
CID:1139934
PubChem ID:21742325
Update Time:2025-04-20
Benzoic acid, 3-ethoxy-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-ethoxy-2-methyl-
- AKOS006279694
- NoName_746
- 3-ETHOXY-2-METHYLBENZOIC ACID
- 103323-96-2
- DB-204600
- MFCD02259458
- DTXSID90901613
- SCHEMBL2345074
-
- Inchi： 1S/C10H12O3/c1-3-13-9-6-4-5-8(7(9)2)10(11)12/h4-6H,3H2,1-2H3,(H,11,12)
- InChI Key： QZGFHAXSXBAKFG-UHFFFAOYSA-N
- SMILES： O(CC)C1C=CC=C(C(=O)O)C=1C
Computed Properties
- Exact Mass: 180.07866
- Monoisotopic Mass: 180.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- 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: 2.2
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Benzoic acid, 3-ethoxy-2-methyl- Related Literature
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
103323-96-2 (Benzoic acid, 3-ethoxy-2-methyl-) Related Products
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