Cas no 728038-73-1 (Benzenepropanoic acid,2-methyl-4-(phenylmethoxy)-, methyl ester)
728038-73-1 structure
Product Name:Benzenepropanoic acid,2-methyl-4-(phenylmethoxy)-, methyl ester
CAS No:728038-73-1
MF:C18H20O3
MW:284.349605560303
CID:559118
PubChem ID:54153445
Update Time:2025-04-19
Benzenepropanoic acid,2-methyl-4-(phenylmethoxy)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanoic acid,2-methyl-4-(phenylmethoxy)-, methyl ester
- (2-{4-[(4-chlorophenyl)phenylmethyl]piperazin-1-yl}ethoxy)acetic acid methyl ester
- 3-(4-benzyloxy-2-methyl-phenyl)-propionic acid methyl ester
- Cetirizine Methanol Adduct
- Cetirizine Methyl Ester
- methyl [2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]acetate
- methyl [2-methyl-3-(4-benzyloxy)phenyl]propionate
- methyl-2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]acetate
- CS-0002180
- OJIYKYYEVHELNA-UHFFFAOYSA-N
- 2-Methyl-4-(phenylmethoxy)benzenepropanoic acid methyl ester
- Benzenepropanoic acid, 2-methyl-4-(phenylmethoxy)-, methyl ester
- Methyl 3-(4-(benzyloxy)-2-methylphenyl)propanoate
- SCHEMBL3917744
- 728038-73-1
-
- Inchi： 1S/C18H20O3/c1-14-12-17(21-13-15-6-4-3-5-7-15)10-8-16(14)9-11-18(19)20-2/h3-8,10,12H,9,11,13H2,1-2H3
- InChI Key： OJIYKYYEVHELNA-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)C1C=CC(=C(C)C=1)CCC(=O)OC
Computed Properties
- Exact Mass: 284.14100
- Monoisotopic Mass: 284.141
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 7
- 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
- Topological Polar Surface Area: 35.5A^2
- XLogP3: 3.8
Experimental Properties
- Density: 1.094
- Boiling Point: 410.2°C at 760 mmHg
- Flash Point: 173.9°C
- Refractive Index: 1.55
- PSA: 35.53000
- LogP: 3.67960
Benzenepropanoic acid,2-methyl-4-(phenylmethoxy)-, methyl ester Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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