Cas no 61235-37-8 (Benzaldehyde, 2-hydroxy-4-[(3-methyl-2-butenyl)oxy]-)
![Benzaldehyde, 2-hydroxy-4-[(3-methyl-2-butenyl)oxy]- structure](https://ossimg.kuujia.com/scimg/61500/61235-37-8x500.png)
61235-37-8 structure
Product Name:Benzaldehyde, 2-hydroxy-4-[(3-methyl-2-butenyl)oxy]-
CAS No:61235-37-8
MF:C12H14O3
MW:206.237763881683
CID:487499
PubChem ID:10867467
Update Time:2025-04-19
Benzaldehyde, 2-hydroxy-4-[(3-methyl-2-butenyl)oxy]- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 2-hydroxy-4-[(3-methyl-2-butenyl)oxy]-
- 2-hydroxy-4-(3-methylbut-2-enoxy)benzaldehyde
- 2-hydroxy4-(3-methylbut-2-enyloxy)benzaldehyde
- 4-((3-methyl)but-2-enyloxy)-2-hydroxybenzaldehyde
- SCHEMBL7180109
- PXNOVNOMHKRGFX-UHFFFAOYSA-N
- 61235-37-8
- DTXSID70446436
- 2-hydroxy-4-(3methylbut-2-enyloxy)benzaldehyde
-
- Inchi： 1S/C12H14O3/c1-9(2)5-6-15-11-4-3-10(8-13)12(14)7-11/h3-5,7-8,14H,6H2,1-2H3
- InChI Key： PXNOVNOMHKRGFX-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C=O)=C(C=1)O)C/C=C(\C)/C
Computed Properties
- Exact Mass: 206.09432
- Monoisotopic Mass: 206.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 231
- 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: 3.1
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Benzaldehyde, 2-hydroxy-4-[(3-methyl-2-butenyl)oxy]- Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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