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209746-96-3 | Ethanone, 1-(4-ethyl-2,6-dihydroxyphenyl)-
CAS No: 209746-96-3 Catalog No: AG002KE1 MDL No:
Product Description
Catalog Number:
AG002KE1
Chemical Name:
Ethanone, 1-(4-ethyl-2,6-dihydroxyphenyl)-
CAS Number:
209746-96-3
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
IUPAC Name:
1-(4-ethyl-2,6-dihydroxyphenyl)ethanone
InChI:
InChI=1S/C10H12O3/c1-3-7-4-8(12)10(6(2)11)9(13)5-7/h4-5,12-13H,3H2,1-2H3
InChI Key:
FUPNPPIBFSGMGK-UHFFFAOYSA-N
SMILES:
CCc1cc(O)c(c(c1)O)C(=O)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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