Cas no 22410-97-5 (4-benzoyl-a-methyl-Benzeneacetic acid,)
22410-97-5 structure
Product Name:4-benzoyl-a-methyl-Benzeneacetic acid,
CAS No:22410-97-5
MF:C16H14O3
MW:254.280564785004
CID:264305
PubChem ID:211143
Update Time:2025-04-19
4-benzoyl-a-methyl-Benzeneacetic acid, Chemical and Physical Properties
Names and Identifiers
-
- 2-(4-benzoylphenyl)propanoic acid
- 4-benzoyl-a-methyl-Benzeneacetic acid,
- Benzeneacetic acid,4-benzoyl-a-methyl-
- BRN 2735553
- DTXSID20945065
- 2-(3-Benzoyl-phenyl)-propionsaure
- Hydratropic acid, p-benzoyl-
- p-Benzoylhydratropic acid
- SCHEMBL5313395
- 4-Benzoyl-alpha-methylbenzeneacetic acid
- Benzeneacetic acid, 4-benzoyl-alpha-methyl-
- 22410-97-5
-
- Inchi： 1S/C16H14O3/c1-11(16(18)19)12-7-9-14(10-8-12)15(17)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)
- InChI Key： RIOUIOIZYLTJEZ-UHFFFAOYSA-N
- SMILES： OC(C(C)C1C=CC(C(C2C=CC=CC=2)=O)=CC=1)=O
Computed Properties
- Exact Mass: 254.09432
- Monoisotopic Mass: 254.094
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 323
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- Density: 1.198
- Boiling Point: 428.8°C at 760 mmHg
- Flash Point: 227.3°C
- Refractive Index: 1.591
- PSA: 54.37
4-benzoyl-a-methyl-Benzeneacetic acid, Related Literature
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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