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69616-56-4 | Ethanone, 1-(2,5-dihydroxy-3,4-dimethoxyphenyl)-
CAS No: 69616-56-4 Catalog No: AG005JYV MDL No:
Product Description
Catalog Number:
AG005JYV
Chemical Name:
Ethanone, 1-(2,5-dihydroxy-3,4-dimethoxyphenyl)-
CAS Number:
69616-56-4
Molecular Formula:
C10H12O5
Molecular Weight:
212.1993
IUPAC Name:
1-(2,5-dihydroxy-3,4-dimethoxyphenyl)ethanone
InChI:
InChI=1S/C10H12O5/c1-5(11)6-4-7(12)9(14-2)10(15-3)8(6)13/h4,12-13H,1-3H3
InChI Key:
CZCNKEZCHMGDLL-UHFFFAOYSA-N
SMILES:
COc1c(O)cc(c(c1OC)O)C(=O)C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.068g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.201g/mol
Monoisotopic Mass:
212.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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