Cas no 754215-63-9 (1,3,5-Benzenetriol, 2-(phenylmethyl)- (9CI))
754215-63-9 structure
Product Name:1,3,5-Benzenetriol, 2-(phenylmethyl)- (9CI)
CAS No:754215-63-9
MF:C13H12O3
MW:216.232583999634
CID:548826
PubChem ID:19910377
Update Time:2025-04-19
1,3,5-Benzenetriol, 2-(phenylmethyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Benzenetriol, 2-(phenylmethyl)- (9CI)
- benzylphloroglucinol
- SCHEMBL278266
- 2-Benzylbenzene-1,3,5-triol
- 754215-63-9
-
- Inchi： 1S/C13H12O3/c14-10-7-12(15)11(13(16)8-10)6-9-4-2-1-3-5-9/h1-5,7-8,14-16H,6H2
- InChI Key： ZJGWDODTDQZXRY-UHFFFAOYSA-N
- SMILES： OC1C=C(C=C(C=1CC1C=CC=CC=1)O)O
Computed Properties
- Exact Mass: 216.07866
- Monoisotopic Mass: 216.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 201
- 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: 60.7A^2
- XLogP3: 2.8
Experimental Properties
- PSA: 60.69
1,3,5-Benzenetriol, 2-(phenylmethyl)- (9CI) Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
754215-63-9 (1,3,5-Benzenetriol, 2-(phenylmethyl)- (9CI)) Related Products
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