Cas no 24262-64-4 (Benzoic acid, 4-hydroxy-, 3-methylphenyl ester)
24262-64-4 structure
Product Name:Benzoic acid, 4-hydroxy-, 3-methylphenyl ester
CAS No:24262-64-4
MF:C14H12O3
MW:228.243284225464
CID:1419752
PubChem ID:12014822
Update Time:2025-04-20
Benzoic acid, 4-hydroxy-, 3-methylphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-hydroxy-, 3-methylphenyl ester
- (3-methylphenyl) 4-hydroxybenzoate
- DTXSID40475839
- 24262-64-4
- SCHEMBL11290345
-
- Inchi： 1S/C14H12O3/c1-10-3-2-4-13(9-10)17-14(16)11-5-7-12(15)8-6-11/h2-9,15H,1H3
- InChI Key： AIXBROBEFQSVBQ-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(=CC=1)O)=O)C1=CC=CC(C)=C1
Computed Properties
- Exact Mass: 228.07866
- Monoisotopic Mass: 228.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 256
- 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: 46.5?2
Experimental Properties
- PSA: 46.53
Benzoic acid, 4-hydroxy-, 3-methylphenyl ester Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
24262-64-4 (Benzoic acid, 4-hydroxy-, 3-methylphenyl ester) Related Products
- 744-45-6(Diphenyl isophthalate)
- 93-44-7(naphthalen-2-yl benzoate)
- 10543-12-1(4-(Acetyloxy)-3-methoxybenzoic Acid)
- 84-62-8(Diphenyl phthalate)
- 93-99-2(Phenyl benzoate)
- 136-36-7(3-Hydroxyphenyl benzoate)
- 94-01-9(1,3-Dibenzoyloxybenzene)
- 2150-37-0(Methyl 3,5-dimethoxybenzoate)
- 5368-81-0(Methyl 3-methoxybenzoate)
- 121-98-2(Methyl 4-methoxybenzoate)
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