Cas no 1165713-47-2 (4-Hydroxy-2-isopropoxybenzaldehyde)
1165713-47-2 structure
Product Name:4-Hydroxy-2-isopropoxybenzaldehyde
CAS No:1165713-47-2
MF:C10H12O3
MW:180.200483322144
CID:2107147
PubChem ID:72221957
Update Time:2024-03-01
4-Hydroxy-2-isopropoxybenzaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 4-hydroxy-2-isopropoxybenzaldehyde
- LBZMFMUFBZDSGU-UHFFFAOYSA-N
- MB22946
- 4-HYDROXY-2-(PROPAN-2-YLOXY)BENZALDEHYDE
- 4-Hydroxy-2-isopropoxybenzaldehyde
-
- Inchi： 1S/C10H12O3/c1-7(2)13-10-5-9(12)4-3-8(10)6-11/h3-7,12H,1-2H3
- InChI Key： LBZMFMUFBZDSGU-UHFFFAOYSA-N
- SMILES： O(C1C=C(C=CC=1C=O)O)C(C)C
Computed Properties
- Exact Mass: 180.078644241g/mol
- Monoisotopic Mass: 180.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 168
- 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
- Topological Polar Surface Area: 46.5
- XLogP3: 1.8
4-Hydroxy-2-isopropoxybenzaldehyde Related Literature
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Ying Li,Weirong Yao,Yunfei Xie,Renjun Pei RSC Adv., 2015,5, 98724-98729
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Richa Sardessai,Shobhana Krishnaswamy,Mysore S. Shashidhar CrystEngComm, 2012,14, 8010-8016
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