Cas no 62702-47-0 (Benzoic acid, 2-hydroxy-, 6-hydroxyhexyl ester)
62702-47-0 structure
Product Name:Benzoic acid, 2-hydroxy-, 6-hydroxyhexyl ester
CAS No:62702-47-0
MF:C13H18O4
MW:238.279624462128
CID:434703
PubChem ID:57452486
Update Time:2025-04-19
Benzoic acid, 2-hydroxy-, 6-hydroxyhexyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-hydroxy-, 6-hydroxyhexyl ester
- 6-hydroxyhexyl 2-hydroxybenzoate
- SCHEMBL2138083
- 62702-47-0
- DTXSID20726598
-
- Inchi： 1S/C13H18O4/c14-9-5-1-2-6-10-17-13(16)11-7-3-4-8-12(11)15/h3-4,7-8,14-15H,1-2,5-6,9-10H2
- InChI Key： HPVFIMQURBNTGC-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1O)=O)CCCCCCO
Computed Properties
- Exact Mass: 238.12054
- Monoisotopic Mass: 238.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 218
- 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: 4.1
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.76
Benzoic acid, 2-hydroxy-, 6-hydroxyhexyl ester Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
62702-47-0 (Benzoic acid, 2-hydroxy-, 6-hydroxyhexyl ester) Related Products
- 2664-60-0(Dodecyl 4-hydroxybenzoate)
- 118-58-1(Benzyl salicylate)
- 118-61-6(Ethyl salicylate)
- 87-20-7(Isoamyl salicylate)
- 1085-12-7(n-Heptyl 4-Hydroxybenzoate)
- 2050-08-0(2-Hydroxybenzoic Acid Pentyl Ester)
- 1219-38-1(N-Octyl 4-Hydroxybenzoate)
- 6521-29-5(Pentyl Paraben)
- 1083-27-8(Hexyl 4-hydroxybenzoate)
- 6969-49-9(Octyl salicylate)
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