Cas no 628297-38-1 (Benzoic acid, 3-(3-methyl-5-isoxazolyl)-)
628297-38-1 structure
Product Name:Benzoic acid, 3-(3-methyl-5-isoxazolyl)-
CAS No:628297-38-1
MF:C11H9NO3
MW:203.194062948227
CID:1640334
PubChem ID:22309042
Update Time:2025-04-21
Benzoic acid, 3-(3-methyl-5-isoxazolyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-(3-methyl-5-isoxazolyl)-
- 3-(3-methyl-5-isoxazolyl)Benzoic acid
- 3-(3-methylisoxazol-5-yl)benzoic acid
- 628297-38-1
- DA-25261
- 3-(3-methylisoxazol-5-yl)benzoicacid
-
- Inchi： 1S/C11H9NO3/c1-7-5-10(15-12-7)8-3-2-4-9(6-8)11(13)14/h2-6H,1H3,(H,13,14)
- InChI Key： JSAHTCSFHQVFIK-UHFFFAOYSA-N
- SMILES： O1C(=CC(C)=N1)C1C=CC=C(C(=O)O)C=1
Computed Properties
- Exact Mass: 203.05827
- Monoisotopic Mass: 203.058
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 244
- 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: 63.3A^2
- XLogP3: 2
Experimental Properties
- PSA: 63.33
Benzoic acid, 3-(3-methyl-5-isoxazolyl)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1595772-5g |
3-(3-Methylisoxazol-5-yl)benzoic acid |
628297-38-1 | 98% | 5g |
￥30121.00 | 2024-05-06 |
Benzoic acid, 3-(3-methyl-5-isoxazolyl)- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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