Cas no 38862-71-4 (Benzoic acid, 2,4-dihydroxy-6-methyl-, phenylmethyl ester)
38862-71-4 structure
Product Name:Benzoic acid, 2,4-dihydroxy-6-methyl-, phenylmethyl ester
CAS No:38862-71-4
MF:C15H14O4
MW:258.269264698029
CID:1492658
PubChem ID:12223617
Update Time:2025-04-21
Benzoic acid, 2,4-dihydroxy-6-methyl-, phenylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2,4-dihydroxy-6-methyl-, phenylmethyl ester
- benzyl 2,4-dihydroxy-6-methylbenzoate
- DTXSID90481208
- SCHEMBL1129779
- 38862-71-4
- DB-141521
-
- Inchi： 1S/C15H14O4/c1-10-7-12(16)8-13(17)14(10)15(18)19-9-11-5-3-2-4-6-11/h2-8,16-17H,9H2,1H3
- InChI Key： NAELFZKDZWMPBW-UHFFFAOYSA-N
- SMILES： O(C(C1C(=CC(=CC=1C)O)O)=O)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 258.08922
- Monoisotopic Mass: 258.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 299
- 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: 3.5
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.76
Benzoic acid, 2,4-dihydroxy-6-methyl-, phenylmethyl ester Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
38862-71-4 (Benzoic acid, 2,4-dihydroxy-6-methyl-, phenylmethyl ester) Related Products
- 2524-37-0(ethyl 2,4-dihydroxy-6-methyl-benzoate)
- 33528-09-5(Methyl 2-hydroxy-6-methylbenzoate)
- 3943-91-7(Ethyl 2, 5-Dihydroxybenzoate)
- 4670-17-1(1,3-Isobenzofurandione,4,6-dimethoxy-)
- 28281-58-5(7-methoxy-1(3H)-Isobenzofuranone)
- 6520-83-8(Ethyl 2-methoxy-6-methylbenzoate)
- 6555-40-4(Ethyl 2-hydroxy-6-methylbenzoate)
- 3187-58-4(Methyl 2,4-dihydroxy-6-methylbenzoate)
- 37418-88-5(3-Hydroxyphthalic anhydride)
- 4143-00-4(Ethyl 2,4-dihydroxybenzoate)
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