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7507-98-4 | 1-(2-hydroxy-3,4,6-trimethoxy-phenyl)ethanone
CAS No: 7507-98-4 Catalog No: AG005ED3 MDL No:
Product Description
Catalog Number:
AG005ED3
Chemical Name:
1-(2-hydroxy-3,4,6-trimethoxy-phenyl)ethanone
CAS Number:
7507-98-4
Molecular Formula:
C11H14O5
Molecular Weight:
226.2259
IUPAC Name:
1-(2-hydroxy-3,4,6-trimethoxyphenyl)ethanone
InChI:
InChI=1S/C11H14O5/c1-6(12)9-7(14-2)5-8(15-3)11(16-4)10(9)13/h5,13H,1-4H3
InChI Key:
WLTFZNFPHXCIAO-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(c(c1O)C(=O)C)OC
NSC Number:
401455
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.228g/mol
Monoisotopic Mass:
226.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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