200,000+ products from a single source!
sales@angenechem.com
16206-40-9 | Benzenebutanoic acid, α,2,5-trimethyl-γ-oxo-
CAS No: 16206-40-9 Catalog No: AG001SPT MDL No:
Product Description
Catalog Number:
AG001SPT
Chemical Name:
Benzenebutanoic acid, α,2,5-trimethyl-γ-oxo-
CAS Number:
16206-40-9
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
IUPAC Name:
4-(2,5-dimethylphenyl)-2-methyl-4-oxobutanoic acid
InChI:
InChI=1S/C13H16O3/c1-8-4-5-9(2)11(6-8)12(14)7-10(3)13(15)16/h4-6,10H,7H2,1-3H3,(H,15,16)
InChI Key:
YZVXEXSBDIMRGV-UHFFFAOYSA-N
SMILES:
OC(=O)C(CC(=O)c1cc(C)ccc1C)C
NSC Number:
78726
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.