Cas no 482627-94-1 (7-hydroxy-1,3-benzodioxole-5-carboxylic acid)
482627-94-1 structure
Product Name:7-hydroxy-1,3-benzodioxole-5-carboxylic acid
CAS No:482627-94-1
MF:C8H6O5
MW:182.130242824554
CID:931866
PubChem ID:22052491
Update Time:2025-04-19
7-hydroxy-1,3-benzodioxole-5-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 7-hydroxy-1,3-benzodioxole-5-carboxylic acid
- 7-HYDROXY-1,3-BENZODIOXIDE-5-CARBOXYLIC ACID
- 7-HYDROXY-2H-1,3-BENZODIOXOLE-5-CARBOXYLIC ACID
- 7-HYDROXYBENZO[D][1,3]DIOXOLE-5-CARBOXYLIC ACID
- SCHEMBL1811267
- 482627-94-1
- AKOS006285563
- 7-hydroxy-benzo[1,3]dioxole-5-carboxylic acid
- DTXSID10622055
- SQGGNLFYTASSGX-UHFFFAOYSA-N
- AB31260
- DB-350762
- AC-13931
- 7-HYDROXY-1,3-BENZODIOXOLE-5-CARBOXYLICACID
- 1,3-Benzodioxole-5-carboxylic acid, 7-hydroxy-
-
- Inchi： 1S/C8H6O5/c9-5-1-4(8(10)11)2-6-7(5)13-3-12-6/h1-2,9H,3H2,(H,10,11)
- InChI Key： SQGGNLFYTASSGX-UHFFFAOYSA-N
- SMILES： O1COC2C=C(C(=O)O)C=C(C1=2)O
Computed Properties
- Exact Mass: 182.02200
- Monoisotopic Mass: 182.022
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 217
- 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
- Topological Polar Surface Area: 76A^2
- XLogP3: 0.9
Experimental Properties
- Density: 1.632
- Boiling Point: 396.762°C at 760 mmHg
- Flash Point: 170.904°C
- Refractive Index: 1.661
- PSA: 75.99000
- LogP: 0.81910
7-hydroxy-1,3-benzodioxole-5-carboxylic acid Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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