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29515-28-4 | 2-Propanone, 1-hydroxy-3-(4-hydroxyphenyl)-
CAS No: 29515-28-4 Catalog No: AG002YMJ MDL No:
Product Description
Catalog Number:
AG002YMJ
Chemical Name:
2-Propanone, 1-hydroxy-3-(4-hydroxyphenyl)-
CAS Number:
29515-28-4
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
IUPAC Name:
1-hydroxy-3-(4-hydroxyphenyl)propan-2-one
InChI:
InChI=1S/C9H10O3/c10-6-9(12)5-7-1-3-8(11)4-2-7/h1-4,10-11H,5-6H2
InChI Key:
CDMBZQCJSOFJDN-UHFFFAOYSA-N
SMILES:
OCC(=O)Cc1ccc(cc1)O
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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