Cas no 213270-44-1 (Butanedioic acid,2-cyclohexyl-, 1-methyl ester, (2S)-)
213270-44-1 structure
Product Name:Butanedioic acid,2-cyclohexyl-, 1-methyl ester, (2S)-
CAS No:213270-44-1
MF:C11H18O4
MW:214.258224010468
CID:289446
PubChem ID:7021598
Update Time:2025-04-19
Butanedioic acid,2-cyclohexyl-, 1-methyl ester, (2S)- Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid,2-cyclohexyl-, 1-methyl ester, (2S)-
- (S)-2-Cyclohexylsuccinic acid-1-methyl ester
- 1,7,8-trichlorooxanthrene
- Dibenzo-p-dioxin,1,7,8-trichloro
- 213270-44-1
- (s)-3-cyclohexyl-4-methoxy-4-oxobutanoic acid
- SCHEMBL1176820
- (3S)-3-cyclohexyl-4-methoxy-4-oxobutanoic acid
- (S)-2-CYCLOHEXYLSUCCINICACID-1-METHYLESTER
- (s)-3-cyclohexyl-4-methoxy-4-oxobutanoicacid
-
- Inchi： 1S/C11H18O4/c1-15-11(14)9(7-10(12)13)8-5-3-2-4-6-8/h8-9H,2-7H2,1H3,(H,12,13)/t9-/m0/s1
- InChI Key： IYCUSOGFMJGUSU-VIFPVBQESA-N
- SMILES： O(C)C([C@@H](CC(=O)O)C1CCCCC1)=O
Computed Properties
- Exact Mass: 214.12100
- Monoisotopic Mass: 214.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 225
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: -1
- XLogP3: 3
- Topological Polar Surface Area: 66.4
Experimental Properties
- Color/Form: Not available
- Density: 1.1328 (rough estimate)
- Melting Point: 47.9 °C
- Boiling Point: 314.39°C (rough estimate)
- Refractive Index: 1.6000 (estimate)
- PSA: 63.60000
- LogP: 1.83060
- Solubility: Not available
Butanedioic acid,2-cyclohexyl-, 1-methyl ester, (2S)- Security Information
- Safety Instruction： S24/25
- Safety Term：S24/25
Butanedioic acid,2-cyclohexyl-, 1-methyl ester, (2S)- Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
213270-44-1 (Butanedioic acid,2-cyclohexyl-, 1-methyl ester, (2S)-) Related Products
- 4630-82-4(Methyl cyclohexanecarboxylate)
- 6297-22-9(methyl 4-oxocyclohexane-1-carboxylate)
- 10138-59-7(1,2-Cyclohexanedicarboxylic Acid Diethyl Ester)
- 2177-77-7(Methyl 2-methylvalerate)
- 29412-62-2(dimethyl cubane-1,4-dicarboxylate)
- 94-60-0(Dimethyl Cyclohexane-1,4-dicarboxylate(1,4-Cyclohexanedicarboxylic Dimethyl Ester))
- 711-01-3(1-Adamantanecarboxylic Acid Methyl Ester)
- 14352-61-5(Methylcyclohexaneacetate)
- 1687-29-2(Dimethyl cis-1,2-Cyclohexanedicarboxylate)
- 4630-80-2(Methyl cyclopentanecarboxylate)
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