Cas no 75915-29-6 (Benzoic acid, 4-(benzoyloxy)-, methyl ester)
75915-29-6 structure
Product Name:Benzoic acid, 4-(benzoyloxy)-, methyl ester
CAS No:75915-29-6
MF:C15H12O4
MW:256.253384590149
CID:538800
PubChem ID:2285403
Update Time:2025-04-19
Benzoic acid, 4-(benzoyloxy)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-(benzoyloxy)-, methyl ester
- methyl 4-benzoyloxybenzoate
- DTXSID10367772
- SCHEMBL6274207
- AKOS003043046
- 75915-29-6
- AN-698/40847766
- methyl 4-(benzoyloxy)benzoate
- HMS1586P08
-
- Inchi： 1S/C15H12O4/c1-18-14(16)12-7-9-13(10-8-12)19-15(17)11-5-3-2-4-6-11/h2-10H,1H3
- InChI Key： YKHLWWUNXPXTQJ-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1)=O)C1C=CC(C(=O)OC)=CC=1
Computed Properties
- Exact Mass: 256.07356
- Monoisotopic Mass: 256.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 312
- 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: 3.4
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Benzoic acid, 4-(benzoyloxy)-, methyl ester Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
75915-29-6 (Benzoic acid, 4-(benzoyloxy)-, methyl ester) Related Products
- 744-45-6(Diphenyl isophthalate)
- 93-44-7(naphthalen-2-yl benzoate)
- 93-99-2(Phenyl benzoate)
- 94-30-4(Ethyl 4-methoxybenzoate)
- 136-36-7(3-Hydroxyphenyl benzoate)
- 94-01-9(1,3-Dibenzoyloxybenzene)
- 2345-34-8(4-Acetoxybenzoic acid)
- 2150-37-0(Methyl 3,5-dimethoxybenzoate)
- 121-98-2(Methyl 4-methoxybenzoate)
- 1486-51-7(4-Benzyloxybenzoic acid)
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