Cas no 1386457-49-3 (1H-Indazole-1-acetic acid, 3-acetyl-)
1386457-49-3 structure
Product Name:1H-Indazole-1-acetic acid, 3-acetyl-
CAS No:1386457-49-3
MF:C11H10N2O3
MW:218.20870256424
CID:2134741
Update Time:2023-08-04
1H-Indazole-1-acetic acid, 3-acetyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-acetyl-1H-Indazole-1-acetic acid
- 1H-Indazole-1-acetic acid, 3-acetyl-
- XAJQOAUMYAJHSF-UHFFFAOYSA-N
- (3-acetyl-indazol-1-yl)-acetic acid
- 2-(3-Acetyl-1H-indazol-1-yl)acetic acid
-
- Inchi： 1S/C11H10N2O3/c1-7(14)11-8-4-2-3-5-9(8)13(12-11)6-10(15)16/h2-5H,6H2,1H3,(H,15,16)
- InChI Key： XAJQOAUMYAJHSF-UHFFFAOYSA-N
- SMILES： O=C(C)C1C2C=CC=CC=2N(CC(=O)O)N=1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 306
- Topological Polar Surface Area: 72.2
1H-Indazole-1-acetic acid, 3-acetyl- Related Literature
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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Ying Li,Weirong Yao,Yunfei Xie,Renjun Pei RSC Adv., 2015,5, 98724-98729
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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