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87533-51-5 | Ethanone, 1,1'-(5-hydroxy-1,3-phenylene)bis-
CAS No: 87533-51-5 Catalog No: AG004DE9 MDL No:
Product Description
Catalog Number:
AG004DE9
Chemical Name:
Ethanone, 1,1'-(5-hydroxy-1,3-phenylene)bis-
CAS Number:
87533-51-5
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
IUPAC Name:
1-(3-acetyl-5-hydroxyphenyl)ethanone
InChI:
InChI=1S/C10H10O3/c1-6(11)8-3-9(7(2)12)5-10(13)4-8/h3-5,13H,1-2H3
InChI Key:
VCJZBAHXVFBVPO-UHFFFAOYSA-N
SMILES:
Oc1cc(cc(c1)C(=O)C)C(=O)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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