200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 89392-17-6
89392-17-6 | 2-Hexanone, 3,3,5,5-tetramethyl-1-(1H-1,2,4-triazol-1-yl)-
CAS No: 89392-17-6 Catalog No: AG003WK5 MDL No:
Product Description
Catalog Number:
AG003WK5
Chemical Name:
2-Hexanone, 3,3,5,5-tetramethyl-1-(1H-1,2,4-triazol-1-yl)-
CAS Number:
89392-17-6
Molecular Formula:
C12H21N3O
Molecular Weight:
223.3146
IUPAC Name:
3,3,5,5-tetramethyl-1-(1,2,4-triazol-1-yl)hexan-2-one
InChI:
InChI=1S/C12H21N3O/c1-11(2,3)7-12(4,5)10(16)6-15-9-13-8-14-15/h8-9H,6-7H2,1-5H3
InChI Key:
ZZVRXKJLUOQIIQ-UHFFFAOYSA-N
SMILES:
O=C(C(CC(C)(C)C)(C)C)Cn1ncnc1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.168g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.32g/mol
Monoisotopic Mass:
223.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.