Cas no 56356-13-9 (Benzoic acid, 4-amino-2-hydroxy-, 2-methylphenyl ester)
56356-13-9 structure
Product Name:Benzoic acid, 4-amino-2-hydroxy-, 2-methylphenyl ester
CAS No:56356-13-9
MF:C14H13NO3
MW:243.257923841476
CID:349109
PubChem ID:23274761
Update Time:2025-04-19
Benzoic acid, 4-amino-2-hydroxy-, 2-methylphenyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 4-amino-2-hydroxy-, 2-methylphenyl ester
- (2-methylphenyl) 4-amino-2-hydroxybenzoate
- 56356-13-9
- 2-Methylphenyl 4-amino-2-hydroxybenzoate
- DTXSID00632305
- SCHEMBL14577689
- o-tolyl 4-amino-2-hydroxy-benzoate
-
- Inchi： 1S/C14H13NO3/c1-9-4-2-3-5-13(9)18-14(17)11-7-6-10(15)8-12(11)16/h2-8,16H,15H2,1H3
- InChI Key： CKUSCWZASJULRJ-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(=CC=1O)N)=O)C1C=CC=CC=1C
Computed Properties
- Exact Mass: 243.08959
- Monoisotopic Mass: 243.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 295
- 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: 3.1
- Topological Polar Surface Area: 72.6?2
Experimental Properties
- PSA: 72.55
Benzoic acid, 4-amino-2-hydroxy-, 2-methylphenyl ester Related Literature
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Somenath Panda,Kaushik Kundu,Anusha Basaiahgari,Sanjib Senapati,Ramesh L. Gardas New J. Chem., 2018,42, 7105-7118
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
56356-13-9 (Benzoic acid, 4-amino-2-hydroxy-, 2-methylphenyl ester) Related Products
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