Cas no 521068-29-1 (Benzaldehyde, 3-ethoxy-4-hydroxy-5-(2-methyl-2-propenyl)- (9CI))
521068-29-1 structure
Product Name:Benzaldehyde, 3-ethoxy-4-hydroxy-5-(2-methyl-2-propenyl)- (9CI)
CAS No:521068-29-1
MF:C13H16O3
MW:220.264344215393
CID:1022418
PubChem ID:22343933
Update Time:2025-04-20
Benzaldehyde, 3-ethoxy-4-hydroxy-5-(2-methyl-2-propenyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Benzaldehyde, 3-ethoxy-4-hydroxy-5-(2-methyl-2-propenyl)- (9CI)
- 3-ethoxy-4-hydroxy-5-(2-methylprop-2-enyl)benzaldehyde
- 3-Ethoxy-4-hydroxy-5-(2-methylprop-2-en-1-yl)benzaldehyde
- LDTTZBSHUNMVCW-UHFFFAOYSA-N
- SCHEMBL5784944
- 521068-29-1
- DTXSID20625032
- 3-Ethoxy-4-hydroxy-5-(2-methyl-2-propen-1-yl)benzaldehyde
- 3-ethoxy-4-hydroxy-5-(2-methyl-2-propenyl)benzaldehyde
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- Inchi： 1S/C13H16O3/c1-4-16-12-7-10(8-14)6-11(13(12)15)5-9(2)3/h6-8,15H,2,4-5H2,1,3H3
- InChI Key： LDTTZBSHUNMVCW-UHFFFAOYSA-N
- SMILES： O(CC)C1=CC(C=O)=CC(=C1O)CC(=C)C
Computed Properties
- Exact Mass: 220.109944368g/mol
- Monoisotopic Mass: 220.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 250
- 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
Benzaldehyde, 3-ethoxy-4-hydroxy-5-(2-methyl-2-propenyl)- (9CI) Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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