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192625-58-4 | Ethanone, 1-[3,5-dihydroxy-4-(1-methylethoxy)phenyl]-
CAS No: 192625-58-4 Catalog No: AG002G4O MDL No:
Product Description
Catalog Number:
AG002G4O
Chemical Name:
Ethanone, 1-[3,5-dihydroxy-4-(1-methylethoxy)phenyl]-
CAS Number:
192625-58-4
Molecular Formula:
C11H14O4
Molecular Weight:
210.2265
IUPAC Name:
1-(3,5-dihydroxy-4-propan-2-yloxyphenyl)ethanone
InChI:
InChI=1S/C11H14O4/c1-6(2)15-11-9(13)4-8(7(3)12)5-10(11)14/h4-6,13-14H,1-3H3
InChI Key:
OHTZAQBTCNRMDB-UHFFFAOYSA-N
SMILES:
CC(Oc1c(O)cc(cc1O)C(=O)C)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.089g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.229g/mol
Monoisotopic Mass:
210.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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