Cas no 439913-09-4 (Cyclopropanecarboxylicacid, 2-(hydroxymethyl)-1-methyl-, ethyl ester, (1R,2R)-)
439913-09-4 structure
Product Name:Cyclopropanecarboxylicacid, 2-(hydroxymethyl)-1-methyl-, ethyl ester, (1R,2R)-
CAS No:439913-09-4
MF:C8H14O3
MW:158.194962978363
CID:327277
Update Time:2022-09-23
Cyclopropanecarboxylicacid, 2-(hydroxymethyl)-1-methyl-, ethyl ester, (1R,2R)- Chemical and Physical Properties
Names and Identifiers
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- Cyclopropanecarboxylicacid, 2-(hydroxymethyl)-1-methyl-, ethyl ester, (1R,2R)-
- Cyclopropanecarboxylic acid, 2-(hydroxymethyl)-1-methyl-, ethyl ester,
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- Inchi： 1S/C8H14O3/c1-3-11-7(10)8(2)4-6(8)5-9/h6,9H,3-5H2,1-2H3
- InChI Key： NPNIDLJZVHSBLF-UHFFFAOYSA-N
- SMILES： C1(C)(C(OCC)=O)CC1CO
Computed Properties
- Exact Mass: 158.094
- Monoisotopic Mass: 158.094
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 167
- 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
- Topological Polar Surface Area: 46.5A^2
Cyclopropanecarboxylicacid, 2-(hydroxymethyl)-1-methyl-, ethyl ester, (1R,2R)- Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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