Cas no 1261905-85-4 (5-(2-Hydroxymethylphenyl)nicotinic acid)
1261905-85-4 structure
Product Name:5-(2-Hydroxymethylphenyl)nicotinic acid
CAS No:1261905-85-4
MF:C13H11NO3
MW:229.231343507767
CID:2762572
PubChem ID:53222723
Update Time:2025-04-21
5-(2-Hydroxymethylphenyl)nicotinic acid Chemical and Physical Properties
Names and Identifiers
-
- MFCD18316910
- 5-(2-Hydroxymethylphenyl)nicotinic acid, 95%
- 1261905-85-4
- 5-(2-HYDROXYMETHYLPHENYL)NICOTINIC ACID
- DTXSID40687091
- 5-(2-Hydroxymethylphenyl)nicotinic acid
-
- Inchi： 1S/C13H11NO3/c15-8-9-3-1-2-4-12(9)10-5-11(13(16)17)7-14-6-10/h1-7,15H,8H2,(H,16,17)
- InChI Key： HVJZQUVDOJOONM-UHFFFAOYSA-N
- SMILES： OCC1C=CC=CC=1C1C=NC=C(C(=O)O)C=1
Computed Properties
- Exact Mass: 229.07389321Da
- Monoisotopic Mass: 229.07389321Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 269
- 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: 1.1
- Topological Polar Surface Area: 70.4?2
5-(2-Hydroxymethylphenyl)nicotinic acid Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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