Cas no 112709-74-7 (1,3-Dioxolane-4-carboxaldehyde, 2,2,5-trimethyl-, (4R-cis)- (9CI))
112709-74-7 structure
Product Name:1,3-Dioxolane-4-carboxaldehyde, 2,2,5-trimethyl-, (4R-cis)- (9CI)
CAS No:112709-74-7
MF:C7H12O3
MW:144.168382644653
CID:129881
PubChem ID:11137283
Update Time:2025-04-19
1,3-Dioxolane-4-carboxaldehyde, 2,2,5-trimethyl-, (4R-cis)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxolane-4-carboxaldehyde, 2,2,5-trimethyl-, (4R-cis)- (9CI)
- 112709-69-0
- 112709-74-7
- 1,3-Dioxolane-4-carboxaldehyde, 2,2,5-trimethyl-, cis- (9CI)
- (4R,5R)-2,2,5-TRIMETHYL-1,3-DIOXOLANE-4-CARBALDEHYDE
-
- Inchi： 1S/C7H12O3/c1-5-6(4-8)10-7(2,3)9-5/h4-6H,1-3H3/t5-,6+/m1/s1
- InChI Key： BWFCUWGVXQIDQS-RITPCOANSA-N
- SMILES： O1[C@H](C)[C@H](C=O)OC1(C)C
Computed Properties
- Exact Mass: 144.07866
- Monoisotopic Mass: 144.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 142
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.4
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
1,3-Dioxolane-4-carboxaldehyde, 2,2,5-trimethyl-, (4R-cis)- (9CI) Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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