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819850-18-5 | Pyrimidine-4-carboxylic Acid (sodium salt)
CAS No: 819850-18-5 Catalog No: AG0054UJ MDL No:MFCD06796209
Product Description
Catalog Number:
AG0054UJ
Chemical Name:
Pyrimidine-4-carboxylic Acid (sodium salt)
CAS Number:
819850-18-5
Molecular Formula:
C5H3N2NaO2
Molecular Weight:
146.0793
MDL Number:
MFCD06796209
IUPAC Name:
sodium;pyrimidine-4-carboxylate
InChI:
InChI=1S/C5H4N2O2.Na/c8-5(9)4-1-2-6-3-7-4;/h1-3H,(H,8,9);/q;+1/p-1
InChI Key:
VHOSKBKUAXVZIG-UHFFFAOYSA-M
SMILES:
[O-]C(=O)c1ccncn1.[Na+]
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.009g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.081g/mol
Monoisotopic Mass:
146.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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