Cas no 105343-79-1 (2-Pyrimidinecarboxylicacid, 5-heptyl-)
105343-79-1 structure
Product Name:2-Pyrimidinecarboxylicacid, 5-heptyl-
CAS No:105343-79-1
MF:C12H18N2O2
MW:222.283523082733
CID:126691
PubChem ID:13660574
Update Time:2025-04-18
2-Pyrimidinecarboxylicacid, 5-heptyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrimidinecarboxylicacid, 5-heptyl-
- 2-Pyrimidinecarboxylic acid, 5-heptyl- (9CI)
- 5-heptylpyrimidine-2-carboxylic acid
- 5-HEPTYLPYRIMIDINE-2-CARBOXYLICACID
- DTXSID00546054
- SCHEMBL9476450
- 105343-79-1
-
- Inchi： 1S/C12H18N2O2/c1-2-3-4-5-6-7-10-8-13-11(12(15)16)14-9-10/h8-9H,2-7H2,1H3,(H,15,16)
- InChI Key： HAXNGJJKAVMCOG-UHFFFAOYSA-N
- SMILES： OC(C1=NC=C(C=N1)CCCCCCC)=O
Computed Properties
- Exact Mass: 222.13694
- Monoisotopic Mass: 222.136827821g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 201
- 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: 3.6
- Topological Polar Surface Area: 63.1?2
Experimental Properties
- PSA: 63.08
- LogP: 2.68770
2-Pyrimidinecarboxylicacid, 5-heptyl- Related Literature
-
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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2. 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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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
105343-79-1 (2-Pyrimidinecarboxylicacid, 5-heptyl-) Related Products
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