Cas no 54797-44-3 (Phenacyl 4-methylbenzoate)
Phenacyl 4-methylbenzoate structure
Product Name:Phenacyl 4-methylbenzoate
CAS No:54797-44-3
MF:C16H14O3
MW:254.280564785004
CID:1591828
PubChem ID:570679
Update Time:2025-04-21
Phenacyl 4-methylbenzoate Chemical and Physical Properties
Names and Identifiers
-
- phenacyl 4-methylbenzoate
- Phenacyl-p-methylbenzoat
- CBDivE_001834
- 2-Oxo-2-phenylethyl 4-methylbenzoate
- Oprea1_785986
- ST4011269
- Oprea1_732455
- Benzoic acid, 4-methyl-, 2-oxo-2-phenylethyl ester
- Maybridge3_004686
- Phenacyl 4-methyl-benzoat
- 4-Methylbenzoic acid phenacyl ester
- CKJMBJBYXLDVMX-UHFFFAOYSA-N
- HMS1444E22
- HMS2996H06
- SCHEMBL11273679
- STK288007
- CHEMBL1582477
- AKOS001700636
- DB-316659
- CCG-531
- MLS001123630
- IDI1_016073
- DTXSID30341155
- 54797-44-3
- SMR000658569
- AB00073573-01
- Phenacyl 4-methylbenzoate
-
- Inchi： 1S/C16H14O3/c1-12-7-9-14(10-8-12)16(18)19-11-15(17)13-5-3-2-4-6-13/h2-10H,11H2,1H3
- InChI Key： CKJMBJBYXLDVMX-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(C)=CC=1)=O)CC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 254.094
- Monoisotopic Mass: 254.094
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 310
- 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
Phenacyl 4-methylbenzoate Related Literature
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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