Home Carboxys 5-Pyrimidinecarboxylicacid, 2-propyl-

5-Pyrimidinecarboxylicacid, 2-propyl-

CAS No.:
72790-17-1
Catalog Number:
AG005P14
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
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Product Description
Catalog Number:
AG005P14
Chemical Name:
5-Pyrimidinecarboxylicacid, 2-propyl-
CAS Number:
72790-17-1
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD09054863
IUPAC Name:
2-propylpyrimidine-5-carboxylic acid
InChI:
InChI=1S/C8H10N2O2/c1-2-3-7-9-4-6(5-10-7)8(11)12/h4-5H,2-3H2,1H3,(H,11,12)
InChI Key:
CVQIPAUPMBPXFQ-UHFFFAOYSA-N
SMILES:
CCCc1ncc(cn1)C(=O)O
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties