Cas no 62702-49-2 (Benzoic acid, 4-hydroxy-, 4-hydroxycyclohexyl ester)
62702-49-2 structure
Product Name:Benzoic acid, 4-hydroxy-, 4-hydroxycyclohexyl ester
CAS No:62702-49-2
MF:C13H16O4
MW:236.263744354248
CID:434701
PubChem ID:58982809
Update Time:2025-04-19
Benzoic acid, 4-hydroxy-, 4-hydroxycyclohexyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-hydroxy-, 4-hydroxycyclohexyl ester
- (4-hydroxycyclohexyl) 4-hydroxybenzoate
- SCHEMBL13002524
- SCHEMBL767676
- SCHEMBL767675
- 62702-49-2
- 4-Hydroxycyclohexyl 4-hydroxybenzoate
- SCHEMBL795709
- DTXSID90730768
-
- Inchi： 1S/C13H16O4/c14-10-3-1-9(2-4-10)13(16)17-12-7-5-11(15)6-8-12/h1-4,11-12,14-15H,5-8H2
- InChI Key： MPRLZMKQCOIAFX-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(=CC=1)O)=O)C1CCC(CC1)O
Computed Properties
- Exact Mass: 236.10488
- Monoisotopic Mass: 236.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 250
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.76
Benzoic acid, 4-hydroxy-, 4-hydroxycyclohexyl ester Related Literature
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
62702-49-2 (Benzoic acid, 4-hydroxy-, 4-hydroxycyclohexyl ester) Related Products
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- 71067-09-9(4-Hydroxybenzoic acid hexadecylester)
- 1219-38-1(N-Octyl 4-Hydroxybenzoate)
- 6521-29-5(Pentyl Paraben)
- 1083-27-8(Hexyl 4-hydroxybenzoate)
- 17696-61-6(Butan-2-yl 4-Hydroxybenzoate)
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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