Cas no 134098-87-6 (Benzoic acid, 2-benzoyl-4,5-dimethyl-, ethyl ester)
134098-87-6 structure
Product Name:Benzoic acid, 2-benzoyl-4,5-dimethyl-, ethyl ester
CAS No:134098-87-6
MF:C18H18O3
MW:282.333725452423
CID:1234770
PubChem ID:19764940
Update Time:2025-04-20
Benzoic acid, 2-benzoyl-4,5-dimethyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-benzoyl-4,5-dimethyl-, ethyl ester
- ethyl 2-benzoyl-4,5-dimethylbenzoate
- DTXSID60599682
- SCHEMBL5609240
- 134098-87-6
-
- Inchi： 1S/C18H18O3/c1-4-21-18(20)16-11-13(3)12(2)10-15(16)17(19)14-8-6-5-7-9-14/h5-11H,4H2,1-3H3
- InChI Key： DOGIOQICYIERGS-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=CC(C)=C(C)C=C1C(C1C=CC=CC=1)=O)=O
Computed Properties
- Exact Mass: 282.125594432g/mol
- Monoisotopic Mass: 282.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 371
- 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: 4.2
- Topological Polar Surface Area: 43.4?2
Benzoic acid, 2-benzoyl-4,5-dimethyl-, ethyl ester Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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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
134098-87-6 (Benzoic acid, 2-benzoyl-4,5-dimethyl-, ethyl ester) Related Products
- 604-61-5(Ethyl 2-(Phenylcarbonyl)benzoate)
- 606-28-0(Methyl 2-benzoylbenzoate)
- 103935-10-0(Ethyl 2-acetylbenzoate)
- 56427-44-2(Benzoic acid, 2-ethyl-, ethyl 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)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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