Cas no 15111-54-3 (3-Cyclohexene-1-carboxylic acid, 6-methyl-, methyl ester, trans-)
15111-54-3 structure
Product Name:3-Cyclohexene-1-carboxylic acid, 6-methyl-, methyl ester, trans-
CAS No:15111-54-3
MF:C9H14O2
MW:154.206263065338
CID:96507
PubChem ID:71354174
Update Time:2025-04-18
3-Cyclohexene-1-carboxylic acid, 6-methyl-, methyl ester, trans- Chemical and Physical Properties
Names and Identifiers
-
- 3-Cyclohexene-1-carboxylic acid, 6-methyl-, methyl ester, trans-
- methyl (1R,6R)-6-methylcyclohex-3-ene-1-carboxylate
- DTXSID50778863
- 15111-54-3
-
- Inchi： 1S/C9H14O2/c1-7-5-3-4-6-8(7)9(10)11-2/h3-4,7-8H,5-6H2,1-2H3/t7-,8-/m1/s1
- InChI Key： SVMRMDDGGIZFQN-HTQZYQBOSA-N
- SMILES： O(C)C([C@@H]1CC=CC[C@H]1C)=O
Computed Properties
- Exact Mass: 154.099379685g/mol
- Monoisotopic Mass: 154.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 172
- 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: 2
- Topological Polar Surface Area: 26.3?2
3-Cyclohexene-1-carboxylic acid, 6-methyl-, methyl ester, trans- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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3. 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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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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