200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 235428-45-2
235428-45-2 | 2H-Pyran-2-one, 4-hydroxy-6-[(1E,3E,5E)-1-methyl-1,3,5-heptatrien-1-yl]-
CAS No: 235428-45-2 Catalog No: AG002NMK MDL No:
Product Description
Catalog Number:
AG002NMK
Chemical Name:
2H-Pyran-2-one, 4-hydroxy-6-[(1E,3E,5E)-1-methyl-1,3,5-heptatrien-1-yl]-
CAS Number:
235428-45-2
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
IUPAC Name:
4-hydroxy-6-octa-2,4,6-trien-2-ylpyran-2-one
InChI:
InChI=1S/C13H14O3/c1-3-4-5-6-7-10(2)12-8-11(14)9-13(15)16-12/h3-9,14H,1-2H3
InChI Key:
XKBMDVOCHVBVMT-UHFFFAOYSA-N
SMILES:
C/C(=C\C=C\C=C\C)/c1cc(O)cc(=O)o1
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.094g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.252g/mol
Monoisotopic Mass:
218.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.