Cas no 98547-38-7 (1,3-Benzenediol, 4-amino-5-methyl-)
98547-38-7 structure
Product Name:1,3-Benzenediol, 4-amino-5-methyl-
CAS No:98547-38-7
MF:C7H9NO2
MW:139.151861906052
CID:750571
PubChem ID:55281738
Update Time:2025-04-19
1,3-Benzenediol, 4-amino-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediol, 4-amino-5-methyl-
- 4-amino-5-methylbenzene-1,3-diol
- AKOS006340634
- SCHEMBL1286281
- 98547-38-7
- DTXSID40717387
- SVAGGSKZBBZMGY-UHFFFAOYSA-N
-
- Inchi： 1S/C7H9NO2/c1-4-2-5(9)3-6(10)7(4)8/h2-3,9-10H,8H2,1H3
- InChI Key： SVAGGSKZBBZMGY-UHFFFAOYSA-N
- SMILES： OC1=CC(=CC(C)=C1N)O
Computed Properties
- Exact Mass: 139.063328530g/mol
- Monoisotopic Mass: 139.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 118
- 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: 0.9
- Topological Polar Surface Area: 66.5?2
1,3-Benzenediol, 4-amino-5-methyl- Related Literature
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
98547-38-7 (1,3-Benzenediol, 4-amino-5-methyl-) Related Products
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