Home Carboxys 2-CyclopropylpyriMidine-4-carboxylic acid

2-CyclopropylpyriMidine-4-carboxylic acid

CAS No.:
1211533-70-8
Catalog Number:
AG00A9XY
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
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Product Description
Catalog Number:
AG00A9XY
Chemical Name:
2-CyclopropylpyriMidine-4-carboxylic acid
CAS Number:
1211533-70-8
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
MDL Number:
MFCD16866567
IUPAC Name:
2-cyclopropylpyrimidine-4-carboxylic acid
InChI:
InChI=1S/C8H8N2O2/c11-8(12)6-3-4-9-7(10-6)5-1-2-5/h3-5H,1-2H2,(H,11,12)
InChI Key:
AWRCBKGYINDHAL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc(n1)C1CC1
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.059g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.164g/mol
Monoisotopic Mass:
164.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties