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13114-65-3 | Urea, N-3-pyridinyl-
CAS No: 13114-65-3 Catalog No: AG000VMC MDL No:MFCD00193807
Product Description
Catalog Number:
AG000VMC
Chemical Name:
Urea, N-3-pyridinyl-
CAS Number:
13114-65-3
Molecular Formula:
C6H7N3O
Molecular Weight:
137.1393
MDL Number:
MFCD00193807
IUPAC Name:
pyridin-3-ylurea
InChI:
InChI=1S/C6H7N3O/c7-6(10)9-5-2-1-3-8-4-5/h1-4H,(H3,7,9,10)
InChI Key:
VFZTXRZGHLQWFA-UHFFFAOYSA-N
SMILES:
NC(=O)Nc1cccnc1
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
137.142g/mol
Monoisotopic Mass:
137.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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