Home Carboxys 2-Isopropyl-4-methylpyrimidine-5-carboxylic acid

2-Isopropyl-4-methylpyrimidine-5-carboxylic acid

CAS No.:
954233-00-2
Catalog Number:
AG00J267
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$226
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Product Description
Catalog Number:
AG00J267
Chemical Name:
2-Isopropyl-4-methylpyrimidine-5-carboxylic acid
CAS Number:
954233-00-2
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD09750210
IUPAC Name:
4-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid
InChI:
InChI=1S/C9H12N2O2/c1-5(2)8-10-4-7(9(12)13)6(3)11-8/h4-5H,1-3H3,(H,12,13)
InChI Key:
GFVUJVMQWKNZDD-UHFFFAOYSA-N
SMILES:
CC(c1ncc(c(n1)C)C(=O)O)C
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties