Cas no 649756-96-7 (Benzoic acid, 4-(2-methylbenzoyl)-, methyl ester)
649756-96-7 structure
Product Name:Benzoic acid, 4-(2-methylbenzoyl)-, methyl ester
CAS No:649756-96-7
MF:C16H14O3
MW:254.280564785004
CID:410019
PubChem ID:11448178
Update Time:2025-04-19
Benzoic acid, 4-(2-methylbenzoyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-(2-methylbenzoyl)-, methyl ester
- methyl 4-(2-methylbenzoyl)benzoate
- SCHEMBL1774122
- DTXSID70466230
- RJABMTXFRBDXQN-UHFFFAOYSA-N
- 649756-96-7
- FT-0747243
-
- Inchi： 1S/C16H14O3/c1-11-5-3-4-6-14(11)15(17)12-7-9-13(10-8-12)16(18)19-2/h3-10H,1-2H3
- InChI Key： RJABMTXFRBDXQN-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(C(=O)OC)=CC=1)C1C=CC=CC=1C
Computed Properties
- Exact Mass: 254.09432
- Monoisotopic Mass: 254.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 329
- 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: 3.5
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Benzoic acid, 4-(2-methylbenzoyl)-, methyl ester Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
649756-96-7 (Benzoic acid, 4-(2-methylbenzoyl)-, methyl ester) Related Products
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- 606-28-0(Methyl 2-benzoylbenzoate)
- 103935-10-0(Ethyl 2-acetylbenzoate)
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- 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)
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- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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