Cas no 1172714-62-3 (2-Ethyl-4-phenylpyrimidine-5-carboxylic acid)
1172714-62-3 structure
Product Name:2-Ethyl-4-phenylpyrimidine-5-carboxylic acid
CAS No:1172714-62-3
MF:C13H12N2O2
MW:228.246582984924
CID:1078911
PubChem ID:44122333
Update Time:2025-04-20
2-Ethyl-4-phenylpyrimidine-5-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 2-Ethyl-4-phenylpyrimidine-5-carboxylic acid
- ALBB-019456
- 1172714-62-3
- AKOS000265479
- 5-pyrimidinecarboxylic acid, 2-ethyl-4-phenyl-
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- MDL： MFCD14281665
- Inchi： 1S/C13H12N2O2/c1-2-11-14-8-10(13(16)17)12(15-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,16,17)
- InChI Key： RVZONKHMIVJARE-UHFFFAOYSA-N
- SMILES： OC(C1=CN=C(CC)N=C1C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 228.089877630g/mol
- Monoisotopic Mass: 228.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 264
- 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: 2.2
- Topological Polar Surface Area: 63.1?2
2-Ethyl-4-phenylpyrimidine-5-carboxylic acid Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
1172714-62-3 (2-Ethyl-4-phenylpyrimidine-5-carboxylic acid) Related Products
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