Home Other Building Blocks 1-(1-propyl-1H-1,2,3-triazol-4-yl)ethan-1-one

1-(1-propyl-1H-1,2,3-triazol-4-yl)ethan-1-one

CAS No.:
1849227-01-5
Catalog Number:
AG01BHXS
Molecular Formula:
C7H11N3O
Molecular Weight:
153.1817
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Product Description
Catalog Number:
AG01BHXS
Chemical Name:
1-(1-propyl-1H-1,2,3-triazol-4-yl)ethan-1-one
CAS Number:
1849227-01-5
Molecular Formula:
C7H11N3O
Molecular Weight:
153.1817
MDL Number:
MFCD30734008
IUPAC Name:
1-(1-propyltriazol-4-yl)ethanone
InChI:
InChI=1S/C7H11N3O/c1-3-4-10-5-7(6(2)11)8-9-10/h5H,3-4H2,1-2H3
InChI Key:
VKUKACYGMYTTBK-UHFFFAOYSA-N
SMILES:
CCCn1nnc(c1)C(=O)C
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.09g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.185g/mol
Monoisotopic Mass:
153.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties