Home Carboxys methyl 6-(propan-2-yl)pyrimidine-4-carboxylate

methyl 6-(propan-2-yl)pyrimidine-4-carboxylate

CAS No.:
1616801-66-1
Catalog Number:
AG01EIQD
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
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Product Description
Catalog Number:
AG01EIQD
Chemical Name:
methyl 6-(propan-2-yl)pyrimidine-4-carboxylate
CAS Number:
1616801-66-1
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD30481860
IUPAC Name:
methyl 6-propan-2-ylpyrimidine-4-carboxylate
InChI:
InChI=1S/C9H12N2O2/c1-6(2)7-4-8(9(12)13-3)11-5-10-7/h4-6H,1-3H3
InChI Key:
DRKVALVACDWNRS-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncnc(c1)C(C)C
Properties
Complexity:
183  
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:
0
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties