Cas no 1239368-65-0 (2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)acetaldehyde)
1239368-65-0 structure
Product Name:2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)acetaldehyde
CAS No:1239368-65-0
MF:C9H10O4
MW:182.173303127289
CID:1005980
PubChem ID:91757337
Update Time:2025-04-20
2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)acetaldehyde Chemical and Physical Properties
Names and Identifiers
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- 2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)acetaldehyde
- alpha,4-Dihydroxy-3-(hydroxymethyl)benzeneacetaldehyde
- 1239368-65-0
- Benzeneacetaldehyde, alpha,4-dihydroxy-3-(hydroxymethyl)-
- 2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)ace
- XC26RVX6Z5
- ALBUTEROL_met011
-
- Inchi： 1S/C9H10O4/c10-4-7-3-6(9(13)5-11)1-2-8(7)12/h1-3,5,9-10,12-13H,4H2
- InChI Key： BMNRWZCHNOLSJD-UHFFFAOYSA-N
- SMILES： OC(C=O)C1C=CC(=C(CO)C=1)O
Computed Properties
- Exact Mass: 182.05790880g/mol
- Monoisotopic Mass: 182.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 171
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.5
- Topological Polar Surface Area: 77.8?2
2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)acetaldehyde Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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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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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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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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