Cas no 6139-63-5 (1,2-Benzenedicarboxylic acid, monophenyl ester)
6139-63-5 structure
Product Name:1,2-Benzenedicarboxylic acid, monophenyl ester
CAS No:6139-63-5
MF:C14H9O4
MW:241.218864202499
CID:480977
PubChem ID:6921497
Update Time:2025-04-19
1,2-Benzenedicarboxylic acid, monophenyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylic acid, monophenyl ester
- 2-phenoxycarbonylbenzoate
- monophenyl phthalate
- phenyl hydrogen phthalate
- Phenyl-hydrogen-phthalat
- Phenyl-phthalat
- phthalic acid monophenyl ester
- Phthalsaeure-monophenylester
- 6139-63-5
- DTXSID00426100
- Diphenyl phthalate; NSC 4052
- C14H9O4-
-
- Inchi： 1S/C14H10O4/c15-13(16)11-8-4-5-9-12(11)14(17)18-10-6-2-1-3-7-10/h1-9H,(H,15,16)/p-1
- InChI Key： MXOGJBKTZBIWOT-UHFFFAOYSA-M
- SMILES： O(C1C=CC=CC=1)C(C1C=CC=CC=1C(=O)[O-])=O
Computed Properties
- Exact Mass: 241.05000
- Monoisotopic Mass: 241.05008376g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 301
- 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: 3.3
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- PSA: 66.43000
- LogP: 1.26930
1,2-Benzenedicarboxylic acid, monophenyl ester Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
6139-63-5 (1,2-Benzenedicarboxylic acid, monophenyl ester) Related Products
- 724-98-1(2-(Phenoxymethyl)benzoic acid)
- 744-45-6(Diphenyl isophthalate)
- 23676-08-6(Methyl 4-Ethyloxybenzoate)
- 32122-11-5(Methyl 4-benzyloxybenzoate)
- 84-62-8(Diphenyl phthalate)
- 93-99-2(Phenyl benzoate)
- 136-36-7(3-Hydroxyphenyl benzoate)
- 94-01-9(1,3-Dibenzoyloxybenzene)
- 2345-34-8(4-Acetoxybenzoic acid)
- 17696-62-7(Phenyl 4-hydroxybenzoate)
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