Cas no 52798-94-4 (Benzoic acid, 4-formyl-, phenyl ester)
52798-94-4 structure
Product Name:Benzoic acid, 4-formyl-, phenyl ester
CAS No:52798-94-4
MF:C14H10O3
MW:226.227404117584
CID:358769
PubChem ID:11356562
Update Time:2025-04-19
Benzoic acid, 4-formyl-, phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-formyl-, phenyl ester
- phenyl 4-formylbenzoate
- 52798-94-4
- DTXSID20463395
- SCHEMBL7537569
-
- Inchi： 1S/C14H10O3/c15-10-11-6-8-12(9-7-11)14(16)17-13-4-2-1-3-5-13/h1-10H
- InChI Key： YDZKLKJTIXFHKR-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(C=O)=CC=1)=O)C1C=CC=CC=1
Computed Properties
- Exact Mass: 226.063
- Monoisotopic Mass: 226.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 261
- 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: 3.1
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Benzoic acid, 4-formyl-, phenyl ester Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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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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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
52798-94-4 (Benzoic acid, 4-formyl-, phenyl 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)
- 94-01-9(1,3-Dibenzoyloxybenzene)
- 2345-34-8(4-Acetoxybenzoic acid)
- 2150-37-0(Methyl 3,5-dimethoxybenzoate)
- 5368-81-0(Methyl 3-methoxybenzoate)
- 121-98-2(Methyl 4-methoxybenzoate)
- 1486-51-7(4-Benzyloxybenzoic acid)
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