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87200-84-8 | 2-Propen-1-ol, 3-(3,4,5-trimethoxyphenyl)-, acetate, (E)-
CAS No: 87200-84-8 Catalog No: AG004N2M MDL No:
Product Description
Catalog Number:
AG004N2M
Chemical Name:
2-Propen-1-ol, 3-(3,4,5-trimethoxyphenyl)-, acetate, (E)-
CAS Number:
87200-84-8
Molecular Formula:
C14H20O6
Molecular Weight:
284.3050
IUPAC Name:
acetic acid;3-(3,4,5-trimethoxyphenyl)prop-2-en-1-ol
InChI:
InChI=1S/C12H16O4.C2H4O2/c1-14-10-7-9(5-4-6-13)8-11(15-2)12(10)16-3;1-2(3)4/h4-5,7-8,13H,6H2,1-3H3;1H3,(H,3,4)
InChI Key:
KGZZLHIKGOIUFE-UHFFFAOYSA-N
SMILES:
CC(=O)O.OC/C=C/c1cc(OC)c(c(c1)OC)OC
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.308g/mol
Monoisotopic Mass:
284.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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