Cas no 123762-07-2 (Benzyl 3-hydroxycyclohexanecarboxylate)
123762-07-2 structure
Product Name:Benzyl 3-hydroxycyclohexanecarboxylate
CAS No:123762-07-2
MF:C14H18O3
MW:234.290924549103
CID:2125934
PubChem ID:14296104
Update Time:2024-03-01
Benzyl 3-hydroxycyclohexanecarboxylate Chemical and Physical Properties
Names and Identifiers
-
- benzyl 3-hydroxycyclohexanecarboxylate
- NEAMXHCILVUVBV-UHFFFAOYSA-N
- Cyclohexanecarboxylic acid, 3-hydroxy-, phenylmethyl ester
- Benzyl 3-hydroxycyclohexanecarboxylate
-
- Inchi： 1S/C14H18O3/c15-13-8-4-7-12(9-13)14(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12-13,15H,4,7-10H2
- InChI Key： NEAMXHCILVUVBV-UHFFFAOYSA-N
- SMILES： OC1CCCC(C(=O)OCC2C=CC=CC=2)C1
Computed Properties
- Exact Mass: 234.125594432g/mol
- Monoisotopic Mass: 234.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 246
- 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: 2.2
- Topological Polar Surface Area: 46.5
Benzyl 3-hydroxycyclohexanecarboxylate Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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