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117048-63-2 | Phenol, 2-methoxy-5-[(1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-, 1-acetate
CAS No: 117048-63-2 Catalog No: AG000DMM MDL No:
Product Description
Catalog Number:
AG000DMM
Chemical Name:
Phenol, 2-methoxy-5-[(1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-, 1-acetate
CAS Number:
117048-63-2
Molecular Formula:
C20H22O6
Molecular Weight:
358.3851
IUPAC Name:
acetic acid;2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
InChI:
InChI=1S/C18H20O5.C2H4O2/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3;1-2(3)4/h5-11,19H,1-4H3;1H3,(H,3,4)
InChI Key:
IPOORGIOQIOKRX-UHFFFAOYSA-N
SMILES:
COc1cc(/C=C\c2ccc(c(c2)OC(=O)C)OC)cc(c1OC)OC
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.152g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
376.405g/mol
Monoisotopic Mass:
376.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
94.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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