Cas no 149229-22-1 (1,3-Dioxolane-4-acetaldehyde, 2,2-dimethyl-5-oxo-, (S)-)
149229-22-1 structure
Product Name:1,3-Dioxolane-4-acetaldehyde, 2,2-dimethyl-5-oxo-, (S)-
CAS No:149229-22-1
MF:C7H10O4
MW:158.151902675629
CID:1321252
PubChem ID:53668084
Update Time:2025-04-20
1,3-Dioxolane-4-acetaldehyde, 2,2-dimethyl-5-oxo-, (S)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxolane-4-acetaldehyde, 2,2-dimethyl-5-oxo-, (S)-
- 149229-22-1
- AT11536
- SCHEMBL2720279
- (S)-2-(2,2-DIMETHYL-5-OXO-1,3-DIOXOLAN-4-YL)ACETALDEHYDE
-
- Inchi： 1S/C7H10O4/c1-7(2)10-5(3-4-8)6(9)11-7/h4-5H,3H2,1-2H3/t5-/m0/s1
- InChI Key： AXZMBXXTNXSOCI-YFKPBYRVSA-N
- SMILES： O1[C@@H](CC=O)C(=O)OC1(C)C
Computed Properties
- Exact Mass: 158.0579
- Monoisotopic Mass: 158.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 185
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
1,3-Dioxolane-4-acetaldehyde, 2,2-dimethyl-5-oxo-, (S)- Related Literature
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Veluru Jagadeesh babu,Sesha Vempati RSC Adv., 2015,5, 66367-66375
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
149229-22-1 (1,3-Dioxolane-4-acetaldehyde, 2,2-dimethyl-5-oxo-, (S)-) Related Products
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