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89623-61-0 | Urea, N-propyl-N'-3-pyridinyl-
CAS No: 89623-61-0 Catalog No: AG003X06 MDL No:
Product Description
Catalog Number:
AG003X06
Chemical Name:
Urea, N-propyl-N'-3-pyridinyl-
CAS Number:
89623-61-0
Molecular Formula:
C9H13N3O
Molecular Weight:
179.2190
IUPAC Name:
1-propyl-3-pyridin-3-ylurea
InChI:
InChI=1S/C9H13N3O/c1-2-5-11-9(13)12-8-4-3-6-10-7-8/h3-4,6-7H,2,5H2,1H3,(H2,11,12,13)
InChI Key:
MHZQBSUNIUYBJG-UHFFFAOYSA-N
SMILES:
CCCNC(=O)Nc1cccnc1
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.223g/mol
Monoisotopic Mass:
179.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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