Cas no 162870-69-1 (Cyclopentanecarboxylicacid, 2-formyl-, methyl ester, (1S-cis)- (9CI))
162870-69-1 structure
Product Name:Cyclopentanecarboxylicacid, 2-formyl-, methyl ester, (1S-cis)- (9CI)
CAS No:162870-69-1
MF:C8H12O3
MW:156.179082870483
CID:110067
Update Time:2024-01-24
Cyclopentanecarboxylicacid, 2-formyl-, methyl ester, (1S-cis)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Cyclopentanecarboxylicacid, 2-formyl-, methyl ester, (1S-cis)- (9CI)
- Cyclopentanecarboxylic acid, 2-formyl-, methyl ester, (1S-cis)- (9CI)
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- Inchi： 1S/C8H12O3/c1-11-8(10)7-4-2-3-6(7)5-9/h5-7H,2-4H2,1H3/t6-,7-/m0/s1
- InChI Key： OWNNQFMHLFDOKY-BQBZGAKWSA-N
- SMILES： [C@H]1(C(OC)=O)CCC[C@H]1C=O
Computed Properties
- Exact Mass: 156.07866
- Monoisotopic Mass: 156.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 165
- 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
- Topological Polar Surface Area: 43.4A^2
Experimental Properties
- Density: 1.175±0.06 g/cm3(Predicted)
- Boiling Point: 214.9±33.0 °C(Predicted)
- PSA: 43.37
Cyclopentanecarboxylicacid, 2-formyl-, methyl ester, (1S-cis)- (9CI) Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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5. 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
162870-69-1 (Cyclopentanecarboxylicacid, 2-formyl-, methyl ester, (1S-cis)- (9CI)) Related Products
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