Cas no 181695-82-9 (5-Isoxazolecarboxylic acid, 4-[4-(aminosulfonyl)phenyl]-3-phenyl-)
![5-Isoxazolecarboxylic acid, 4-[4-(aminosulfonyl)phenyl]-3-phenyl- structure](https://ossimg.kuujia.com/scimg/182000/181695-82-9x500.png)
181695-82-9 structure
Product Name:5-Isoxazolecarboxylic acid, 4-[4-(aminosulfonyl)phenyl]-3-phenyl-
CAS No:181695-82-9
MF:C16H12N2O5S
MW:344.341882705688
CID:1372928
PubChem ID:19608686
Update Time:2025-04-20
5-Isoxazolecarboxylic acid, 4-[4-(aminosulfonyl)phenyl]-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 5-Isoxazolecarboxylic acid, 4-[4-(aminosulfonyl)phenyl]-3-phenyl-
- 3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazole-5-carboxylic acid
- 3-Phenyl-4-(4-sulfamoylphenyl)isoxazole-5-carboxylic acid
- 4-(4-(Aminosulfonyl)phenyl)-3-phenyl-5-isoxazolecarboxylic acid
- UB88KM8FLZ
- DTXSID90599039
- 181695-82-9
- UNII-UB88KM8FLZ
- SCHEMBL4893458
- Valdecoxib metabolite M4
- 5-Isoxazolecarboxylic acid, 4-(4-(aminosulfonyl)phenyl)-3-phenyl-
-
- Inchi： 1S/C16H12N2O5S/c17-24(21,22)12-8-6-10(7-9-12)13-14(11-4-2-1-3-5-11)18-23-15(13)16(19)20/h1-9H,(H,19,20)(H2,17,21,22)
- InChI Key： AEAVMNLZENBJSN-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)C1=C(C(=O)O)ON=C1C1C=CC=CC=1)(N)(=O)=O
Computed Properties
- Exact Mass: 344.04676
- Monoisotopic Mass: 344.04669266g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 24
- Rotatable Bond Count: 4
- Complexity: 547
- 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: 2.1
- Topological Polar Surface Area: 132?2
Experimental Properties
- PSA: 123.49
5-Isoxazolecarboxylic acid, 4-[4-(aminosulfonyl)phenyl]-3-phenyl- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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