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249278-25-9 | Ethanone, 1-[2-hydroxy-6-(3-methylbutoxy)phenyl]-
CAS No: 249278-25-9 Catalog No: AG002PW6 MDL No:MFCD00100622
Product Description
Catalog Number:
AG002PW6
Chemical Name:
Ethanone, 1-[2-hydroxy-6-(3-methylbutoxy)phenyl]-
CAS Number:
249278-25-9
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
MDL Number:
MFCD00100622
IUPAC Name:
1-[2-hydroxy-6-(3-methylbutoxy)phenyl]ethanone
InChI:
InChI=1S/C13H18O3/c1-9(2)7-8-16-12-6-4-5-11(15)13(12)10(3)14/h4-6,9,15H,7-8H2,1-3H3
InChI Key:
KFBRVHJODGMLFK-UHFFFAOYSA-N
SMILES:
CC(CCOc1cccc(c1C(=O)C)O)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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