Cas no 124600-38-0 (1,3-Dioxolane-4-carboxylicacid, 2,2,5-trimethyl-, (4S-cis)- (9CI))
124600-38-0 structure
Product Name:1,3-Dioxolane-4-carboxylicacid, 2,2,5-trimethyl-, (4S-cis)- (9CI)
CAS No:124600-38-0
MF:C7H12O4
MW:160.167782783508
CID:103709
PubChem ID:13808383
Update Time:2025-04-18
1,3-Dioxolane-4-carboxylicacid, 2,2,5-trimethyl-, (4S-cis)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxolane-4-carboxylicacid, 2,2,5-trimethyl-, (4S-cis)- (9CI)
- EOS-60403
- (4S,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylicacid
- 1,3-Dioxolane-4-carboxylicacid,2,2,5-trimethyl-,(4S-cis)-(9CI)
- (4S,5S)-2,2,5-Trimethyl-1,3-dioxolane-4-carboxylic acid
- 124600-38-0
- SCHEMBL15325118
-
- Inchi： 1S/C7H12O4/c1-4-5(6(8)9)11-7(2,3)10-4/h4-5H,1-3H3,(H,8,9)/t4-,5-/m0/s1
- InChI Key： HNLGBHQJNORDKW-WHFBIAKZSA-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-, (4S-cis)- (9CI) Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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