Cas no 77869-39-7 (Benzoic acid, 2,3-dimethoxy-4-methyl-)
77869-39-7 structure
Product Name:Benzoic acid, 2,3-dimethoxy-4-methyl-
CAS No:77869-39-7
MF:C10H12O4
MW:196.199883460999
CID:535344
PubChem ID:12612821
Update Time:2025-04-19
Benzoic acid, 2,3-dimethoxy-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2,3-dimethoxy-4-methyl-
- 2,3-dimethoxy-4-methylbenzoic acid
- SCHEMBL6646160
- 2,3-dimethoxy-4-methylbenzoicacid
- EN300-1697238
- FT-0730080
- DTXSID80504359
- 77869-39-7
-
- Inchi： 1S/C10H12O4/c1-6-4-5-7(10(11)12)9(14-3)8(6)13-2/h4-5H,1-3H3,(H,11,12)
- InChI Key： ZODSBHXWPSQSDH-UHFFFAOYSA-N
- SMILES： O(C)C1C(=C(C(=O)O)C=CC=1C)OC
Computed Properties
- Exact Mass: 196.07356
- Monoisotopic Mass: 196.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 204
- 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: 1.8
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- PSA: 55.76
Benzoic acid, 2,3-dimethoxy-4-methyl- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
77869-39-7 (Benzoic acid, 2,3-dimethoxy-4-methyl-) Related Products
- 490-64-2(2,4,5-Trimethoxybenzoic acid)
- 2785-98-0(2,5-Dimethoxybenzoic acid)
- 877-22-5(o-Vanillic Acid)
- 1521-38-6(2,3-Dimethoxybenzoic acid)
- 2206-43-1(4-Methoxyisophthalic acid)
- 2612-02-4(5-Methoxysalicylic acid)
- 6342-70-7(Methyl 2-Hydroxy-3-methoxybenzoate)
- 529-75-9(2-Methoxybenzoic acid)
- 573-11-5(2,3,4-Trimethoxybenzoic acid)
- 579-75-9(2-Methoxybenzoic acid)
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