Cas no 80008-63-5 ( )
structure
Product Name:
CAS No:80008-63-5
MF:C16H16O3
MW:256.296444892883
CID:984989
PubChem ID:347639
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- (4-methylphenyl) 2-ethoxybenzoate
- 4-methylphenyl2-ethoxybenzoate
- AC1L87RZ
- AN-652
- MolPort-002-826-835
- NSC406418
- SureCN4392103
- DTXSID50324329
- AKOS003498337
- NSC-406418
- SCHEMBL4392103
- AN-652/41584150
- 80008-63-5
-
-
- Inchi： 1S/C16H16O3/c1-3-18-15-7-5-4-6-14(15)16(17)19-13-10-8-12(2)9-11-13/h4-11H,3H2,1-2H3
- InChI Key： YNXPPXHCUZSSIR-UHFFFAOYSA-N
- SMILES： O(CC)C1C=CC=CC=1C(=O)OC1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 256.10998
- Monoisotopic Mass: 256.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 282
- 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: 3.8
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
- LogP: 3.61290
Related Literature
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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