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16475-85-7 | Ethanone, 1,1'-(4-hydroxy-6-methyl-1,3-phenylene)bis- (9CI)
CAS No: 16475-85-7 Catalog No: AG001V3F MDL No:
Product Description
Catalog Number:
AG001V3F
Chemical Name:
Ethanone, 1,1'-(4-hydroxy-6-methyl-1,3-phenylene)bis- (9CI)
CAS Number:
16475-85-7
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
IUPAC Name:
1-(5-acetyl-4-hydroxy-2-methylphenyl)ethanone
InChI:
InChI=1S/C11H12O3/c1-6-4-11(14)10(8(3)13)5-9(6)7(2)12/h4-5,14H,1-3H3
InChI Key:
JVADGSKLONUYIX-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(C(=O)C)c(cc1C)O
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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