Cas no 3267-41-2 (3-[(3-carboxy-4-hydroxy-5-methyl-phenyl)-(3-carboxy-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-5-methyl-benzoic acid)
![3-[(3-carboxy-4-hydroxy-5-methyl-phenyl)-(3-carboxy-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-5-methyl-benzoic acid structure](https://ossimg.kuujia.com/scimg/3500/3267-41-2x500.png)
3267-41-2 structure
Product Name:3-[(3-carboxy-4-hydroxy-5-methyl-phenyl)-(3-carboxy-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-5-methyl-benzoic acid
CAS No:3267-41-2
MF:C25H20O9
MW:464.420907974243
CID:1457485
PubChem ID:53439035
Update Time:2025-04-20
3-[(3-carboxy-4-hydroxy-5-methyl-phenyl)-(3-carboxy-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-5-methyl-benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-[(3-carboxy-4-hydroxy-5-methyl-phenyl)-(3-carboxy-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-5-methyl-benzoic acid
- benzoic a<wbr>
- LogP
- 5-[bis(3-carboxy-4-hydroxy-5-methylphenyl)methylidene]-3-methyl-6-oxocyclohexa-1,3-diene-1-carboxylic acid
- BAYIQEWBFGERAF-UHFFFAOYSA-N
- 3,3'-[(5-Carboxy-3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylene]bis(6-hydroxy-5-methylbenzoic acid)
- 3267-41-2
- DTXSID70701678
-
- Inchi： 1S/C25H20O9/c1-10-4-15(22(28)16(5-10)23(29)30)19(13-6-11(2)20(26)17(8-13)24(31)32)14-7-12(3)21(27)18(9-14)25(33)34/h4-9,26-27H,1-3H3,(H,29,30)(H,31,32)(H,33,34)
- InChI Key： HXRCXPSYKGMPBO-UHFFFAOYSA-N
- SMILES： OC1C(C(=O)O)=CC(=CC=1C)/C(=C1/C(C(C(=O)O)=CC(C)=C/1)=O)/C1C=C(C(=O)O)C(=C(C)C=1)O
Computed Properties
- Exact Mass: 464.1107
- Monoisotopic Mass: 464.11073221g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 34
- Rotatable Bond Count: 5
- Complexity: 944
- 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: 5.4
- Topological Polar Surface Area: 169?2
Experimental Properties
- PSA: 169.43
3-[(3-carboxy-4-hydroxy-5-methyl-phenyl)-(3-carboxy-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-5-methyl-benzoic acid Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
3267-41-2 (3-[(3-carboxy-4-hydroxy-5-methyl-phenyl)-(3-carboxy-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-5-methyl-benzoic acid) Related Products
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