Cas no 16093-53-1 (Butanedioic acid, bis(3-methylphenyl) ester)
16093-53-1 structure
Product Name:Butanedioic acid, bis(3-methylphenyl) ester
CAS No:16093-53-1
MF:C18H18O4
MW:298.333125591278
CID:1340260
PubChem ID:71353910
Update Time:2025-04-20
Butanedioic acid, bis(3-methylphenyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid, bis(3-methylphenyl) ester
- bis(3-methylphenyl) butanedioate
- PSRQFUJXZZJLJW-UHFFFAOYSA-N
- 16093-53-1
- DTXSID10778622
- Succinic acid, di(3-methylphenyl) ester
-
- Inchi： 1S/C18H18O4/c1-13-5-3-7-15(11-13)21-17(19)9-10-18(20)22-16-8-4-6-14(2)12-16/h3-8,11-12H,9-10H2,1-2H3
- InChI Key： PSRQFUJXZZJLJW-UHFFFAOYSA-N
- SMILES： O(C(CCC(=O)OC1=CC=CC(C)=C1)=O)C1=CC=CC(C)=C1
Computed Properties
- Exact Mass: 298.12054
- Monoisotopic Mass: 298.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 7
- Complexity: 343
- 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: 3.7
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Butanedioic acid, bis(3-methylphenyl) ester Related Literature
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
16093-53-1 (Butanedioic acid, bis(3-methylphenyl) ester) Related Products
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- 10415-86-8(Pentanoic acid,4-methylphenyl ester)
- 10024-57-4(Dodecanoic acid,4-methylphenyl ester)
- 55066-56-3(Butanoic acid,3-methyl-, 4-methylphenyl ester)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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