Cas no 5492-71-7 (1H-Indole-3-carboxylicacid, 5-hydroxy-2,6-dimethyl-, ethyl ester)
5492-71-7 structure
Product Name:1H-Indole-3-carboxylicacid, 5-hydroxy-2,6-dimethyl-, ethyl ester
CAS No:5492-71-7
MF:C13H9NO5
MW:259.214263677597
CID:381135
PubChem ID:691554
Update Time:2025-04-19
1H-Indole-3-carboxylicacid, 5-hydroxy-2,6-dimethyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-3-carboxylicacid, 5-hydroxy-2,6-dimethyl-, ethyl ester
- benzoic acid, 3-(2-nitrophenoxy)-
- 3-(2-nitrophenoxy)benzoic acid
- SR-01000399074
- AKOS000746204
- Cambridge id 5492717
- DTXSID20970256
- SCHEMBL10594864
- Oprea1_145554
- MFCD00690139
- 3-(2-Nitro-phenoxy)-benzoic acid
- AB00087010-01
- HMS3377F08
- HMS2513P09
- MLS000554495
- 3-(2-nitrophenoxy)benzoicacid
- SMR000171396
- SR-01000399074-1
- Oprea1_572992
- CHEMBL1595477
- 27237-20-3
- 5492-71-7
- AB7667
-
- Inchi： 1S/C13H9NO5/c15-13(16)9-4-3-5-10(8-9)19-12-7-2-1-6-11(12)14(17)18/h1-8H,(H,15,16)
- InChI Key： HGFIGLCYOONRCT-UHFFFAOYSA-N
- SMILES： O(C1C=CC=C(C(=O)O)C=1)C1C=CC=CC=1[N+](=O)[O-]
Computed Properties
- Exact Mass: 259.04807
- Monoisotopic Mass: 259.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 340
- 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: 2.8
- Topological Polar Surface Area: 92.4?2
Experimental Properties
- Density: 1.405
- Boiling Point: 432.4°C at 760 mmHg
- Flash Point: 215.3°C
- Refractive Index: 1.636
- PSA: 89.67
1H-Indole-3-carboxylicacid, 5-hydroxy-2,6-dimethyl-, ethyl ester Related Literature
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
5492-71-7 (1H-Indole-3-carboxylicacid, 5-hydroxy-2,6-dimethyl-, ethyl ester) Related Products
- 89-41-8(4-Methoxy-3-nitrobenzoic acid)
- 5081-36-7(3-Methoxy-4-nitrobenzoic acid)
- 5081-37-8(Methyl 3-methoxy-4-nitrobenzoate)
- 367501-32-4(3-Ethoxy-4-nitrobenzoic acid)
- 15785-54-3(4-Hydroxy-3-methoxy-5-nitrobenzoic acid)
- 35288-44-9(3-Nitro-4-propoxybenzoicacid)
- 59719-77-6(4-Ethoxy-3-nitrobenzoic acid)
- 72101-53-2(3-Butoxy-4-nitrobenzoic Acid)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
Recommended suppliers
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Joy Biotech Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Gold Member
Audited Supplier
CN Supplier
Reagent
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk