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87286-67-7 | 2-Propen-1-ol, 3-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)-
CAS No: 87286-67-7 Catalog No: AG004PEA MDL No:
Product Description
Catalog Number:
AG004PEA
Chemical Name:
2-Propen-1-ol, 3-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)-
CAS Number:
87286-67-7
Molecular Formula:
C18H20O5
Molecular Weight:
316.3484
IUPAC Name:
3-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)prop-2-en-1-ol
InChI:
InChI=1S/C18H20O5/c1-20-15-6-4-5-7-17(15)23-14(12-19)10-13-8-9-16(21-2)18(11-13)22-3/h4-11,19H,12H2,1-3H3
InChI Key:
XBUOYXZPCVVIJF-UHFFFAOYSA-N
SMILES:
OCC(=Cc1ccc(c(c1)OC)OC)Oc1ccccc1OC
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.131g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.353g/mol
Monoisotopic Mass:
316.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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