Cas no 178201-63-3 (Benzaldehyde, 3-(1,1-dimethylethoxy)-4-hydroxy-)
178201-63-3 structure
Product Name:Benzaldehyde, 3-(1,1-dimethylethoxy)-4-hydroxy-
CAS No:178201-63-3
MF:C11H14O3
MW:194.227063655853
CID:1366148
PubChem ID:19068531
Update Time:2025-04-20
Benzaldehyde, 3-(1,1-dimethylethoxy)-4-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 3-(1,1-dimethylethoxy)-4-hydroxy-
- 3-t-butoxy-p-hydroxybenzaldehyde
- 3-(1,1-Dimethylethoxy)-4-hydroxybenzaldehyde
- 178201-63-3
- DB-150423
- SCHEMBL8466367
-
- Inchi： 1S/C11H14O3/c1-11(2,3)14-10-6-8(7-12)4-5-9(10)13/h4-7,13H,1-3H3
- InChI Key： OQHANSZDVMFTQZ-UHFFFAOYSA-N
- SMILES： O(C1C=C(C=O)C=CC=1O)C(C)(C)C
Computed Properties
- Exact Mass: 194.09432
- Monoisotopic Mass: 194.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 195
- 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: 2.2
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Benzaldehyde, 3-(1,1-dimethylethoxy)-4-hydroxy- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
178201-63-3 (Benzaldehyde, 3-(1,1-dimethylethoxy)-4-hydroxy-) Related Products
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