Cas no 1036725-92-4 (4-o-tolylbutanoic acid)
4-o-tolylbutanoic acid structure
Product Name:4-o-tolylbutanoic acid
CAS No:1036725-92-4
MF:C16H17N3O
MW:267.325683355331
CID:830916
Update Time:2026-04-29
4-o-tolylbutanoic acid Chemical and Physical Properties
Names and Identifiers
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- 4-o-tolylbutanoic acid
- 7-(1-Pyrrolidinylmethyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one
- 7-[(Pyrrolidin-1-yl)methyl]pyrrolo[1,2-a]quinoxalin-4(5H)-one
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- Inchi： InChI=1S/C16H17N3O/c20-16-15-4-3-9-19(15)14-6-5-12(10-13(14)17-16)11-18-7-1-2-8-18/h3-6,9-10H,1-2,7-8,11H2,(H,17,20)
- InChI Key： ZLYVTQGSZRQZLA-UHFFFAOYSA-N
- SMILES： C1CCN(C1)CC2=CC3=C(C=C2)N4C=CC=C4C(=O)N3
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
4-o-tolylbutanoic acid Related Literature
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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