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

3-methyl-3-(1H-1,2,4-triazol-1-yl)butan-2-one

CAS No.:
1803587-69-0
Catalog Number:
AG01BH0I
Molecular Formula:
C7H11N3O
Molecular Weight:
153.1817
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Product Description
Catalog Number:
AG01BH0I
Chemical Name:
3-methyl-3-(1H-1,2,4-triazol-1-yl)butan-2-one
CAS Number:
1803587-69-0
Molecular Formula:
C7H11N3O
Molecular Weight:
153.1817
MDL Number:
MFCD28139465
IUPAC Name:
3-methyl-3-(1,2,4-triazol-1-yl)butan-2-one
InChI:
InChI=1S/C7H11N3O/c1-6(11)7(2,3)10-5-8-4-9-10/h4-5H,1-3H3
InChI Key:
HYIOOBSVQLUCSH-UHFFFAOYSA-N
SMILES:
CC(=O)C(n1ncnc1)(C)C
Properties
Complexity:
167  
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:
2  
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties