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7508-46-5 | 1,2-bis[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]ethane-1,2-dione
CAS No: 7508-46-5 Catalog No: AG005ECY MDL No:
Product Description
Catalog Number:
AG005ECY
Chemical Name:
1,2-bis[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]ethane-1,2-dione
CAS Number:
7508-46-5
Molecular Formula:
C22H22O6
Molecular Weight:
382.4065
IUPAC Name:
1,2-bis(3-methoxy-4-prop-2-enoxyphenyl)ethane-1,2-dione
InChI:
InChI=1S/C22H22O6/c1-5-11-27-17-9-7-15(13-19(17)25-3)21(23)22(24)16-8-10-18(28-12-6-2)20(14-16)26-4/h5-10,13-14H,1-2,11-12H2,3-4H3
InChI Key:
ZXGGWEQQNHLJLJ-UHFFFAOYSA-N
SMILES:
C=CCOc1ccc(cc1OC)C(=O)C(=O)c1ccc(c(c1)OC)OCC=C
NSC Number:
16749
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.142g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.412g/mol
Monoisotopic Mass:
382.142g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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