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125292-97-9 | 2,5-Cyclohexadien-1-one, 4-[2-(3,4-dimethoxyphenyl)-1-methylethenyl]-4,5-dimethoxy-2-(2-propen-1-yl)-
CAS No: 125292-97-9 Catalog No: AG000NG2 MDL No:
Product Description
Catalog Number:
AG000NG2
Chemical Name:
2,5-Cyclohexadien-1-one, 4-[2-(3,4-dimethoxyphenyl)-1-methylethenyl]-4,5-dimethoxy-2-(2-propen-1-yl)-
CAS Number:
125292-97-9
Molecular Formula:
C22H26O5
Molecular Weight:
370.4388
IUPAC Name:
4-[(E)-1-(3,4-dimethoxyphenyl)prop-1-en-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C22H26O5/c1-7-8-17-14-22(27-6,21(26-5)13-18(17)23)15(2)11-16-9-10-19(24-3)20(12-16)25-4/h7,9-14H,1,8H2,2-6H3/b15-11+
InChI Key:
VKYZYTYFGUQBLS-RVDMUPIBSA-N
SMILES:
C=CCC1=CC(OC)(C(=CC1=O)OC)C(=Cc1ccc(c(c1)OC)OC)C
Properties
Complexity:
645
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
370.178g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.445g/mol
Monoisotopic Mass:
370.178g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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