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10121-26-3 | 1-Butanone, 1-(2,6-dihydroxyphenyl)-
CAS No: 10121-26-3 Catalog No: AG0003ZE MDL No:MFCD00564165
Product Description
Catalog Number:
AG0003ZE
Chemical Name:
1-Butanone, 1-(2,6-dihydroxyphenyl)-
CAS Number:
10121-26-3
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD00564165
IUPAC Name:
1-(2,6-dihydroxyphenyl)butan-1-one
InChI:
InChI=1S/C10H12O3/c1-2-4-7(11)10-8(12)5-3-6-9(10)13/h3,5-6,12-13H,2,4H2,1H3
InChI Key:
GMFURTWBEPILKH-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1c(O)cccc1O
Properties
Complexity:
169
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:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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