Cas no 87997-30-6 (1,2,3-Benzenetriol, 4-methoxy-)
87997-30-6 structure
Product Name:1,2,3-Benzenetriol, 4-methoxy-
CAS No:87997-30-6
MF:C7H8O4
MW:156.136022567749
CID:649012
PubChem ID:16638062
Update Time:2025-04-19
1,2,3-Benzenetriol, 4-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Benzenetriol, 4-methoxy-
- 4-methoxybenzene-1,2,3-triol
- SCHEMBL9742294
- 87997-30-6
- DTXSID40586257
- Pyrogallol-1-methyl ether
- AKOS000277693
-
- Inchi： 1S/C7H8O4/c1-11-5-3-2-4(8)6(9)7(5)10/h2-3,8-10H,1H3
- InChI Key： ZPQVQRQYGVYXHB-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC(=C(C=1O)O)O
Computed Properties
- Exact Mass: 156.04225873g/mol
- Monoisotopic Mass: 156.04225873g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 128
- 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: 0.8
- Topological Polar Surface Area: 69.9?2
1,2,3-Benzenetriol, 4-methoxy- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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