200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 80553-79-3
80553-79-3 | 2,2-dimethyl-6-phenoxy-4-(1,2,4-triazol-1-yl)hexan-3-ol
CAS No: 80553-79-3 Catalog No: AG00593A MDL No:
Product Description
Catalog Number:
AG00593A
Chemical Name:
2,2-dimethyl-6-phenoxy-4-(1,2,4-triazol-1-yl)hexan-3-ol
CAS Number:
80553-79-3
Molecular Formula:
C16H23N3O2
Molecular Weight:
289.3727
IUPAC Name:
2,2-dimethyl-6-phenoxy-4-(1,2,4-triazol-1-yl)hexan-3-ol
InChI:
InChI=1S/C16H23N3O2/c1-16(2,3)15(20)14(19-12-17-11-18-19)9-10-21-13-7-5-4-6-8-13/h4-8,11-12,14-15,20H,9-10H2,1-3H3
InChI Key:
KECDDIBOVKGAEU-UHFFFAOYSA-N
SMILES:
OC(C(C)(C)C)C(n1cncn1)CCOc1ccccc1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.179g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.379g/mol
Monoisotopic Mass:
289.179g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.