Cas no 875637-22-2 (Benzoic acid, 4-[5-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-)
875637-22-2 structure
Product Name:Benzoic acid, 4-[5-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-
CAS No:875637-22-2
MF:C20H14N2O3
MW:330.336764812469
CID:1906688
PubChem ID:59700129
Update Time:2025-04-21
Benzoic acid, 4-[5-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 4-[5-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-
- 4-[5-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid
- SCHEMBL8256634
- 875637-22-2
- DB-380424
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- Inchi: 1S/C20H14N2O3/c23-16-3-1-2-14(8-16)15-9-17-18(11-22-19(17)21-10-15)12-4-6-13(7-5-12)20(24)25/h1-11,23H,(H,21,22)(H,24,25)
- InChI Key: MMDODHCWRZRKEA-UHFFFAOYSA-N
- SMILES: OC1=CC=CC(=C1)C1=CN=C2C(=C1)C(=CN2)C1C=CC(C(=O)O)=CC=1
Computed Properties
- Exact Mass: 330.10044231Da
- Monoisotopic Mass: 330.10044231Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 3
- Complexity: 478
- 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: 3.7
- Topological Polar Surface Area: 86.2?2
Benzoic acid, 4-[5-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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