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29048-54-2 | 1-Propanone, 1-(2,4-dihydroxyphenyl)-2-methyl-
CAS No: 29048-54-2 Catalog No: AG002VBQ MDL No:
Product Description
Catalog Number:
AG002VBQ
Chemical Name:
1-Propanone, 1-(2,4-dihydroxyphenyl)-2-methyl-
CAS Number:
29048-54-2
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
IUPAC Name:
1-(2,4-dihydroxyphenyl)-2-methylpropan-1-one
InChI:
InChI=1S/C10H12O3/c1-6(2)10(13)8-4-3-7(11)5-9(8)12/h3-6,11-12H,1-2H3
InChI Key:
XMZKXYBXQCAUHQ-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)O)C(=O)C(C)C
Properties
Complexity:
189
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:
2.7
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