Cas no 66842-91-9 (3,4-DIHYDROXY-5-METHOXYBENZALDEHYDE OXIME)
66842-91-9 structure
Product Name:3,4-DIHYDROXY-5-METHOXYBENZALDEHYDE OXIME
CAS No:66842-91-9
MF:C8H9NO4
MW:183.161362409592
CID:964749
PubChem ID:135580648
Update Time:2025-04-19
3,4-DIHYDROXY-5-METHOXYBENZALDEHYDE OXIME Chemical and Physical Properties
Names and Identifiers
-
- 3,4-DIHYDROXY-5-METHOXYBENZALDEHYDE OXIME
- (4E)-2-hydroxy-4-[(hydroxyamino)methylidene]-6-methoxycyclohexa-2,5-dien-1-one
- 3,4-Dihydroxy-5-methoxybenzaldoxime
- BENZALDEHYDE,3,4-DIHYDROXY-5-METHOXY-,OXIME
- 66842-91-9
- BENZALDEHYDE, 3,4-DIHYDROXY-5-METHOXY-, OXIME
- BRN 2583064
-
- Inchi： 1S/C8H9NO4/c1-13-7-3-5(4-9-12)2-6(10)8(7)11/h2-4,10-12H,1H3/b9-4-
- InChI Key： WCHGNHSEDPOLIQ-WTKPLQERSA-N
- SMILES： O(C)C1C=C(/C=N\O)C=C(C=1O)O
Computed Properties
- Exact Mass: 183.05300
- Monoisotopic Mass: 183.053158
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 314
- 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: 78.8
- XLogP3: 0.9
Experimental Properties
- Density: 1.42
- Boiling Point: 355.2°C at 760 mmHg
- Flash Point: 168.6°C
- Refractive Index: 1.613
- PSA: 82.28000
- LogP: 0.91450
3,4-DIHYDROXY-5-METHOXYBENZALDEHYDE OXIME Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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5. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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