Cas no 2555-99-9 (Benzoic acid,3-(4-carboxy-2-methoxyphenoxy)-4-hydroxy-5-methoxy-)
2555-99-9 structure
Product Name:Benzoic acid,3-(4-carboxy-2-methoxyphenoxy)-4-hydroxy-5-methoxy-
Benzoic acid,3-(4-carboxy-2-methoxyphenoxy)-4-hydroxy-5-methoxy- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid,3-(4-carboxy-2-methoxyphenoxy)-4-hydroxy-5-methoxy-
- 3-(4-carboxy-2-methoxyphenoxy)-4-hydroxy-5-methoxybenzoic acid
- VANILLIC ACID, 5-(4-CARBOXY-2-METHOXYPHENOXY)-
- 2555-99-9
- DTXSID50180245
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- Inchi： 1S/C16H14O8/c1-22-11-5-8(15(18)19)3-4-10(11)24-13-7-9(16(20)21)6-12(23-2)14(13)17/h3-7,17H,1-2H3,(H,18,19)(H,20,21)
- InChI Key： LFDSABYJTKMLLF-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C(=O)O)=CC=1OC)C1C=C(C(=O)O)C=C(C=1O)OC
Computed Properties
- Exact Mass: 334.06882
- Monoisotopic Mass: 334.06886740g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 24
- Rotatable Bond Count: 6
- Complexity: 453
- 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: 2.3
- Topological Polar Surface Area: 123?2
Experimental Properties
- PSA: 122.52
Benzoic acid,3-(4-carboxy-2-methoxyphenoxy)-4-hydroxy-5-methoxy- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
2555-99-9 (Benzoic acid,3-(4-carboxy-2-methoxyphenoxy)-4-hydroxy-5-methoxy-) Related Products
- 645-08-9(Isovanillic acid)
- 5409-31-4(3,4-Diethoxybenzoic acid)
- 6970-19-0(3,4,5-Triethoxybenzoic acid)
- 121-34-6(Vanillic acid)
- 3535-30-6(4-Ethoxy-3-methoxybenzoic acid)
- 3934-84-7(3-O-Methylgallic acid)
- 530-57-4(Syringic acid)
- 2651-55-0(3-Ethoxy-4-methoxybenzoic acid)
- 118-41-2(3,4,5-Trimethoxybenzoic acid)
- 93-07-2(Veratric acid)
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