Cas no 579-52-2 (Benzoicacid, 4-(hydroxyphenylmethyl)-)
579-52-2 structure
Product Name:Benzoicacid, 4-(hydroxyphenylmethyl)-
Benzoicacid, 4-(hydroxyphenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoicacid, 4-(hydroxyphenylmethyl)-
- 4-[hydroxy(phenyl)methyl]benzoic acid
- AC1L5WFR
- AC1Q5TVN
- AR-1F9898
- CTK1H5084
- NSC38788
- NSC-38788
- NSC401150
- SureCN5510121
- DTXSID40284746
- 4-carboxybenzhydrol
- NXWZDRGHHRXEGE-UHFFFAOYSA-N
- 579-52-2
- J-500041
- (+)-4-(Hydroxyphenylmethyl)benzoic acid
- SCHEMBL5510121
- 4-(Hydroxy(phenyl)methyl)benzoic acid
- NSC-401150
-
- Inchi： 1S/C14H12O3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9,13,15H,(H,16,17)
- InChI Key： NXWZDRGHHRXEGE-UHFFFAOYSA-N
- SMILES： OC(C1C=CC=CC=1)C1C=CC(C(=O)O)=CC=1
Computed Properties
- Exact Mass: 228.07866
- Monoisotopic Mass: 228.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 250
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
Benzoicacid, 4-(hydroxyphenylmethyl)- Related Literature
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
579-52-2 (Benzoicacid, 4-(hydroxyphenylmethyl)-) Related Products
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