Cas no 313241-29-1 (5-ethyladamantane-1,3-dicarboxylic Acid)
313241-29-1 structure
Product Name:5-ethyladamantane-1,3-dicarboxylic Acid
CAS No:313241-29-1
MF:C14H20O4
MW:252.306204795837
CID:1446725
PubChem ID:3596045
Update Time:2025-04-20
5-ethyladamantane-1,3-dicarboxylic Acid Chemical and Physical Properties
Names and Identifiers
-
- 5-ethyladamantane-1,3-dicarboxylic acid
- AC1MT79F
- Ambcb7515043
- SureCN9402854
- Oprea1_008286
- MolPort-002-253-622
- 1-ethyl-3,5-adamantanedicarboxylic acid
- 5-ethyl-1,3-adamantanedicarboxylic
- 313241-29-1
- SCHEMBL9402854
- AKOS004117790
- DB-312139
- DTXSID10393990
- 5-ethyladamantane-1,3-dicarboxylic Acid
-
- Inchi： 1S/C14H20O4/c1-2-12-3-9-4-13(6-12,10(15)16)8-14(5-9,7-12)11(17)18/h9H,2-8H2,1H3,(H,15,16)(H,17,18)
- InChI Key： GEAXZIJGUHWTIS-UHFFFAOYSA-N
- SMILES： OC(C12CC3CC(C(=O)O)(C1)CC(CC)(C3)C2)=O
Computed Properties
- Exact Mass: 252.1362
- Monoisotopic Mass: 252.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 398
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- Density: 1.358±0.06 g/cm3 (20 oC 760 Torr),
- Boiling Point: 387 °C at 760 mmHg
- Flash Point: 202 °C
- Solubility: Very slightly soluble (0.4 g/l) (25 o C),
- PSA: 74.6
5-ethyladamantane-1,3-dicarboxylic Acid Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
313241-29-1 (5-ethyladamantane-1,3-dicarboxylic Acid) Related Products
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