Cas no 152786-08-8 (1,3-Dioxolane-4-carboxylicacid, 2,2,5-trimethyl-, (4R,5S)-rel-)
152786-08-8 structure
Product Name:1,3-Dioxolane-4-carboxylicacid, 2,2,5-trimethyl-, (4R,5S)-rel-
CAS No:152786-08-8
MF:C7H12O4
MW:160.167782783508
CID:99127
PubChem ID:13808384
Update Time:2025-04-18
1,3-Dioxolane-4-carboxylicacid, 2,2,5-trimethyl-, (4R,5S)-rel- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxolane-4-carboxylicacid, 2,2,5-trimethyl-, (4R,5S)-rel-
- 1,3-Dioxolane-4-carboxylicacid,2,2,5-trimethyl-,trans-(9CI)
- 127062-02-6
- 1,3-Dioxolane-4-carboxylicacid,2,2,5-trimethyl-,(4S-trans)-(9CI)
- (4S,5R)-2,2,5-TRIMETHYL-1,3-DIOXOLANE-4-CARBOXYLIC ACID
- SCHEMBL4871828
- 1,3-Dioxolane-4-carboxylic acid, 2,2,5-trimethyl-, (4S-trans)- (9CI)
- AMY31899
- 152786-08-8
-
- Inchi： 1S/C7H12O4/c1-4-5(6(8)9)11-7(2,3)10-4/h4-5H,1-3H3,(H,8,9)/t4-,5+/m1/s1
- InChI Key： HNLGBHQJNORDKW-UHNVWZDZSA-N
- SMILES： O1[C@H](C)[C@@H](C(=O)O)OC1(C)C
Computed Properties
- Exact Mass: 160.07355886g/mol
- Monoisotopic Mass: 160.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 175
- 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: 0.5
- Topological Polar Surface Area: 55.8?2
1,3-Dioxolane-4-carboxylicacid, 2,2,5-trimethyl-, (4R,5S)-rel- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
152786-08-8 (1,3-Dioxolane-4-carboxylicacid, 2,2,5-trimethyl-, (4R,5S)-rel-) Related Products
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