200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 15561-17-8
15561-17-8 | 2-Buten-1-one, 1-(2,4,6-trimethylphenyl)-
CAS No: 15561-17-8 Catalog No: AG001O2D MDL No:
Product Description
Catalog Number:
AG001O2D
Chemical Name:
2-Buten-1-one, 1-(2,4,6-trimethylphenyl)-
CAS Number:
15561-17-8
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
IUPAC Name:
1-(2,4,6-trimethylphenyl)but-2-en-1-one
InChI:
InChI=1S/C13H16O/c1-5-6-12(14)13-10(3)7-9(2)8-11(13)4/h5-8H,1-4H3
InChI Key:
SYTAQSHMTRMBIF-UHFFFAOYSA-N
SMILES:
CC=CC(=O)c1c(C)cc(cc1C)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.27g/mol
Monoisotopic Mass:
188.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.