Cas no 832127-70-5 (1,2,3-Benzotriazin-4(3H)-one, 3-hydroxy-7-methyl-)
832127-70-5 structure
Product Name:1,2,3-Benzotriazin-4(3H)-one, 3-hydroxy-7-methyl-
CAS No:832127-70-5
MF:C8H7N3O2
MW:177.160081148148
CID:676077
PubChem ID:11401090
Update Time:2025-04-19
1,2,3-Benzotriazin-4(3H)-one, 3-hydroxy-7-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Benzotriazin-4(3H)-one, 3-hydroxy-7-methyl-
- 3-hydroxy-7-methyl-1,2,3-benzotriazin-4-one
- 832127-70-5
- DTXSID60464684
- SCHEMBL6253722
-
- Inchi: 1S/C8H7N3O2/c1-5-2-3-6-7(4-5)9-10-11(13)8(6)12/h2-4,13H,1H3
- InChI Key: HCRGFAOMJVISHM-UHFFFAOYSA-N
- SMILES: O=C1C2C=CC(C)=CC=2N=NN1O
Computed Properties
- Exact Mass: 177.053826475g/mol
- Monoisotopic Mass: 177.053826475g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 254
- 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: 0.7
- Topological Polar Surface Area: 65.3?2
1,2,3-Benzotriazin-4(3H)-one, 3-hydroxy-7-methyl- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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