Cas no 22020-95-7 (Benzenepropanoic acid,4-methylphenyl ester)
22020-95-7 structure
Product Name:Benzenepropanoic acid,4-methylphenyl ester
CAS No:22020-95-7
MF:C16H16O2
MW:240.297044754028
CID:250390
PubChem ID:572645
Update Time:2025-04-19
Benzenepropanoic acid,4-methylphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanoic acid,4-methylphenyl ester
- Hydrocinnamicacid, p-tolyl ester (7CI,8CI)
- p-Tolyl 3-phenylpropanoate
- 4-Methylphenyl beta-phenylpropionate
- p-tolyl 3-phenylpro-panoate
- 4-Methylphenyl 3-phenylpropanoate #
- 4-Methylphenyl .beta.-phenylpropionate
- 22020-95-7
- SCHEMBL9957374
-
- Inchi： 1S/C16H16O2/c1-13-7-10-15(11-8-13)18-16(17)12-9-14-5-3-2-4-6-14/h2-8,10-11H,9,12H2,1H3
- InChI Key： CXBNNSQNNIVMFA-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C)=CC=1)C(CCC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 240.11508
- Monoisotopic Mass: 240.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 248
- 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: 3.9
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzenepropanoic acid,4-methylphenyl ester Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
22020-95-7 (Benzenepropanoic acid,4-methylphenyl ester) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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- 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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