Cas no 105917-41-7 (methyl 2-(4-hydroxy-3-propylphenyl)acetate)
105917-41-7 structure
Product Name:methyl 2-(4-hydroxy-3-propylphenyl)acetate
CAS No:105917-41-7
MF:C12H16O3
MW:208.253643989563
CID:2109180
PubChem ID:22459111
Update Time:2025-04-21
methyl 2-(4-hydroxy-3-propylphenyl)acetate Chemical and Physical Properties
Names and Identifiers
-
- methyl 2-(4-hydroxy-3-propylphenyl)acetate
- 105917-41-7
- SCHEMBL3586640
- DA-20078
- PZZZBMGUMDASMF-UHFFFAOYSA-N
- methyl 4-hydroxy-3-propylphenylacetate
-
- Inchi: 1S/C12H16O3/c1-3-4-10-7-9(5-6-11(10)13)8-12(14)15-2/h5-7,13H,3-4,8H2,1-2H3
- InChI Key: PZZZBMGUMDASMF-UHFFFAOYSA-N
- SMILES: OC1=CC=C(CC(=O)OC)C=C1CCC
Computed Properties
- Exact Mass: 208.109944368Da
- Monoisotopic Mass: 208.109944368Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 203
- 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: 2.7
- Topological Polar Surface Area: 46.5?2
methyl 2-(4-hydroxy-3-propylphenyl)acetate Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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