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188199-78-2 | Ethanone, 1-(3,5-dimethoxyphenyl)-2,2-dihydroxy-
CAS No: 188199-78-2 Catalog No: AG002GR9 MDL No:
Product Description
Catalog Number:
AG002GR9
Chemical Name:
Ethanone, 1-(3,5-dimethoxyphenyl)-2,2-dihydroxy-
CAS Number:
188199-78-2
Molecular Formula:
C10H12O5
Molecular Weight:
212.1993
IUPAC Name:
2-(3,5-dimethoxyphenyl)-2-oxoacetaldehyde;hydrate
InChI:
InChI=1S/C10H10O4.H2O/c1-13-8-3-7(10(12)6-11)4-9(5-8)14-2;/h3-6H,1-2H3;1H2
InChI Key:
QNSGQYLIAUSUHQ-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)OC)C(=O)C(O)O
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
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:
1
Isotope Atom Count:
0
Molecular Weight:
212.201g/mol
Monoisotopic Mass:
212.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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