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89204-49-9 | 4H-Pyran-4-one, 3-(3-butoxy-1-oxo-2-propenyl)-2,6-dimethyl-
CAS No: 89204-49-9 Catalog No: AG0045NR MDL No:
Product Description
Catalog Number:
AG0045NR
Chemical Name:
4H-Pyran-4-one, 3-(3-butoxy-1-oxo-2-propenyl)-2,6-dimethyl-
CAS Number:
89204-49-9
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
IUPAC Name:
3-(3-butoxyprop-2-enoyl)-2,6-dimethylpyran-4-one
InChI:
InChI=1S/C14H18O4/c1-4-5-7-17-8-6-12(15)14-11(3)18-10(2)9-13(14)16/h6,8-9H,4-5,7H2,1-3H3
InChI Key:
WDJIMKBUQDLJRK-UHFFFAOYSA-N
SMILES:
CCCCOC=CC(=O)c1c(C)oc(cc1=O)C
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.294g/mol
Monoisotopic Mass:
250.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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