Cas no 72790-09-1 (2-Pyrimidinecarboxylicacid, 5-butyl-)
72790-09-1 structure
Product Name:2-Pyrimidinecarboxylicacid, 5-butyl-
CAS No:72790-09-1
MF:C9H12N2O2
MW:180.203782081604
CID:550545
PubChem ID:14056312
Update Time:2025-04-19
2-Pyrimidinecarboxylicacid, 5-butyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrimidinecarboxylicacid, 5-butyl-
- 5-Butylpyrimidine-2-carboxylicacid
- 2-Pyrimidinecarboxylic acid, 5-butyl- (9CI)
- DTXSID20555148
- FT-0764132
- SCHEMBL9233439
- 72790-09-1
- 5-Butylpyrimidine-2-carboxylic acid
-
- Inchi： 1S/C9H12N2O2/c1-2-3-4-7-5-10-8(9(12)13)11-6-7/h5-6H,2-4H2,1H3,(H,12,13)
- InChI Key： CIAGNHFWEATGBA-UHFFFAOYSA-N
- SMILES： OC(C1=NC=C(C=N1)CCCC)=O
Computed Properties
- Exact Mass: 180.08996
- Monoisotopic Mass: 180.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 165
- 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: 1.9
- Topological Polar Surface Area: 63.1?2
Experimental Properties
- PSA: 63.08
2-Pyrimidinecarboxylicacid, 5-butyl- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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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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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
72790-09-1 (2-Pyrimidinecarboxylicacid, 5-butyl-) Related Products
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