Cas no 55136-18-0 (3-Benzofuranol, 2-(iminomethyl)-)
55136-18-0 structure
Product Name:3-Benzofuranol, 2-(iminomethyl)-
CAS No:55136-18-0
MF:C9H7NO3
MW:177.156782388687
CID:943418
PubChem ID:54718768
Update Time:2025-04-19
3-Benzofuranol, 2-(iminomethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Benzofuranol, 2-(iminomethyl)-
- SCHEMBL650804
- SCHEMBL11128258
- 55136-18-0
- 3-Hydroxybenzofuran-2-carbimidic acid
- BQIPSHFARQEQOU-UHFFFAOYSA-N
- 3-hydroxybenzo[b]furan-2-carboximidic acid
- hydroxybenzofuranamide
-
- Inchi： 1S/C9H7NO3/c10-9(12)8-7(11)5-3-1-2-4-6(5)13-8/h1-4,11H,(H2,10,12)
- InChI Key： BQIPSHFARQEQOU-UHFFFAOYSA-N
- SMILES： O1C(C(N)=O)=C(C2C=CC=CC1=2)O
Computed Properties
- Exact Mass: 161.048
- Monoisotopic Mass: 161.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 235
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52.3A^2
- XLogP3: 1.7
3-Benzofuranol, 2-(iminomethyl)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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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
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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