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1240606-56-7 | 2-Pyrimidinecarboxylic acid, 5-ethynyl-
CAS No: 1240606-56-7 Catalog No: AG000LI6 MDL No:
Product Description
Catalog Number:
AG000LI6
Chemical Name:
2-Pyrimidinecarboxylic acid, 5-ethynyl-
CAS Number:
1240606-56-7
Molecular Formula:
C7H4N2O2
Molecular Weight:
148.1189
IUPAC Name:
5-ethynylpyrimidine-2-carboxylic acid
InChI:
InChI=1S/C7H4N2O2/c1-2-5-3-8-6(7(10)11)9-4-5/h1,3-4H,(H,10,11)
InChI Key:
SLBLMBVNEJORBG-UHFFFAOYSA-N
SMILES:
C#Cc1cnc(nc1)C(=O)O
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.121g/mol
Monoisotopic Mass:
148.027g/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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