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89067-49-2 | 2,5-Cyclohexadien-1-one, 4,4,5-trimethoxy-2-(2-propenyl)-
CAS No: 89067-49-2 Catalog No: AG00410M MDL No:
Product Description
Catalog Number:
AG00410M
Chemical Name:
2,5-Cyclohexadien-1-one, 4,4,5-trimethoxy-2-(2-propenyl)-
CAS Number:
89067-49-2
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
IUPAC Name:
4,4,5-trimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C12H16O4/c1-5-6-9-8-12(15-3,16-4)11(14-2)7-10(9)13/h5,7-8H,1,6H2,2-4H3
InChI Key:
DWMBJTGPUZIAHJ-UHFFFAOYSA-N
SMILES:
C=CCC1=CC(OC)(OC)C(=CC1=O)OC
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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