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66621-73-6 | 2-Pyrimidineacetic Acid
CAS No: 66621-73-6 Catalog No: AG0033FS MDL No:MFCD04973302
Product Description
Catalog Number:
AG0033FS
Chemical Name:
2-Pyrimidineacetic Acid
CAS Number:
66621-73-6
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
MDL Number:
MFCD04973302
IUPAC Name:
2-pyrimidin-2-ylacetic acid
InChI:
InChI=1S/C6H6N2O2/c9-6(10)4-5-7-2-1-3-8-5/h1-3H,4H2,(H,9,10)
InChI Key:
NRRCYZPJUABYHL-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ncccn1
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
138.126g/mol
Monoisotopic Mass:
138.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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