Cas no 7508-75-0 (2-methyl-5-(propan-2-yl)phenyl 2-hydroxybenzoate)
7508-75-0 structure
Product Name:2-methyl-5-(propan-2-yl)phenyl 2-hydroxybenzoate
CAS No:7508-75-0
MF:C17H18O3
MW:270.323025226593
CID:981316
PubChem ID:346132
Update Time:2025-04-19
2-methyl-5-(propan-2-yl)phenyl 2-hydroxybenzoate Chemical and Physical Properties
Names and Identifiers
-
- (2-methyl-5-propan-2-ylphenyl) 2-hydroxybenzoate
- 2-methyl-5-(propan-2-yl)phenyl 2-hydroxybenzoate
- AC1L84AN
- Angstrol
- Benzoic acid, 2-methyl-5-(1-methylethyl)phenyl ester
- NSC404190
- NSC-404190
- Salicylic acid, carvacryl ester
- DTXSID60323520
- 7508-75-0
-
- Inchi: 1S/C17H18O3/c1-11(2)13-9-8-12(3)16(10-13)20-17(19)14-6-4-5-7-15(14)18/h4-11,18H,1-3H3
- InChI Key: NPMYXTCDTRUOLU-UHFFFAOYSA-N
- SMILES: O(C(C1C=CC=CC=1O)=O)C1=C(C)C=CC(=C1)C(C)C
Computed Properties
- Exact Mass: 270.12564
- Monoisotopic Mass: 270.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 326
- 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: 4.9
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
- LogP: 4.04320
2-methyl-5-(propan-2-yl)phenyl 2-hydroxybenzoate Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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