Cas no 721427-97-0 (Benzeneacetaldehyde,2,3-diethoxy-)
721427-97-0 structure
Product Name:Benzeneacetaldehyde,2,3-diethoxy-
CAS No:721427-97-0
MF:C12H16O3
MW:208.253643989563
CID:558447
PubChem ID:71440108
Update Time:2025-04-19
Benzeneacetaldehyde,2,3-diethoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetaldehyde,2,3-diethoxy-
- Acetaldehyde,(2,3-diethoxyphenyl)- (5CI)
- (2,3-Diethoxyphenyl)acetaldehyde
- 721427-97-0
-
- Inchi： 1S/C12H16O3/c1-3-14-11-7-5-6-10(8-9-13)12(11)15-4-2/h5-7,9H,3-4,8H2,1-2H3
- InChI Key： ATSQUOBKZURQPB-UHFFFAOYSA-N
- SMILES： O(CC)C1C(=CC=CC=1CC=O)OCC
Computed Properties
- Exact Mass: 208.10998
- Monoisotopic Mass: 208.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 182
- 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: 35.5A^2
- XLogP3: 2
Experimental Properties
- PSA: 35.53
Benzeneacetaldehyde,2,3-diethoxy- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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