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122271-46-9 | Benzenemethanol, 3-hydroxy-4,5-dimethoxy-
CAS No: 122271-46-9 Catalog No: AG001717 MDL No:
Product Description
Catalog Number:
AG001717
Chemical Name:
Benzenemethanol, 3-hydroxy-4,5-dimethoxy-
CAS Number:
122271-46-9
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
IUPAC Name:
5-(hydroxymethyl)-2,3-dimethoxyphenol
InChI:
InChI=1S/C9H12O4/c1-12-8-4-6(5-10)3-7(11)9(8)13-2/h3-4,10-11H,5H2,1-2H3
InChI Key:
YEROGNXNQJEQDX-UHFFFAOYSA-N
SMILES:
COc1cc(CO)cc(c1OC)O
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.191g/mol
Monoisotopic Mass:
184.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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