Cas no 917592-80-4 (Benzoic acid, 6-methoxy-2,3,4-trimethyl-, methyl ester)
917592-80-4 structure
Product Name:Benzoic acid, 6-methoxy-2,3,4-trimethyl-, methyl ester
CAS No:917592-80-4
MF:C12H16O3
MW:208.253643989563
CID:785870
PubChem ID:71428594
Update Time:2025-04-19
Benzoic acid, 6-methoxy-2,3,4-trimethyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 6-methoxy-2,3,4-trimethyl-, methyl ester
- methyl 6-methoxy-2,3,4-trimethylbenzoate
- DTXSID40847315
- 917592-80-4
-
- Inchi： 1S/C12H16O3/c1-7-6-10(14-4)11(12(13)15-5)9(3)8(7)2/h6H,1-5H3
- InChI Key： VTGPFDIMPOTHTO-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C)C(C)=C(C)C=1C(=O)OC
Computed Properties
- Exact Mass: 208.109944368g/mol
- Monoisotopic Mass: 208.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 227
- 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: 2.8
- Topological Polar Surface Area: 35.5?2
Benzoic acid, 6-methoxy-2,3,4-trimethyl-, methyl ester Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
917592-80-4 (Benzoic acid, 6-methoxy-2,3,4-trimethyl-, methyl ester) Related Products
- 2905-82-0(Methyl 2-hydroxy-5-methoxybenzoate)
- 6161-65-5(2-Methoxy-6-methylbenzoic acid)
- 479-20-9(ATRANORIN)
- 22955-73-3(Dimethyl 4-methoxyisophthalate)
- 606-45-1(Methyl 2-methoxybenzoate)
- 2150-40-5(Methyl 2,5-Dimethoxybenzoate)
- 28281-58-5(7-methoxy-1(3H)-Isobenzofuranone)
- 6520-83-8(Ethyl 2-methoxy-6-methylbenzoate)
- 14963-97-4(3-Methoxyphthalic acid)
- 570-10-5(EVERNIC ACID)
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