Cas no 200959-11-1 (1,3-Benzodioxol-5-ol, 7-methyl-)
200959-11-1 structure
Product Name:1,3-Benzodioxol-5-ol, 7-methyl-
CAS No:200959-11-1
MF:C8H8O3
MW:152.147322654724
CID:240808
PubChem ID:84649591
Update Time:2025-04-19
1,3-Benzodioxol-5-ol, 7-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzodioxol-5-ol, 7-methyl-
- 1,3-Benzodioxol-5-ol,7-methyl-
- 200959-11-1
-
- Inchi： 1S/C8H8O3/c1-5-2-6(9)3-7-8(5)11-4-10-7/h2-3,9H,4H2,1H3
- InChI Key： AZFJNJBWYLRCOA-UHFFFAOYSA-N
- SMILES： O1COC2=CC(=CC(C)=C12)O
Computed Properties
- Exact Mass: 152.047344113g/mol
- Monoisotopic Mass: 152.047344113g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 148
- 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: 1.7
- Topological Polar Surface Area: 38.7?2
1,3-Benzodioxol-5-ol, 7-methyl- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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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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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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