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84466-80-8 | 3-Hydroxy-3-(4-methoxyphenyl);-2-methyl-1-phenylpropan-1-one
CAS No: 84466-80-8 Catalog No: AG00550O MDL No:
Product Description
Catalog Number:
AG00550O
Chemical Name:
3-Hydroxy-3-(4-methoxyphenyl);-2-methyl-1-phenylpropan-1-one
CAS Number:
84466-80-8
Molecular Formula:
C17H18O3
Molecular Weight:
270.3230
IUPAC Name:
3-hydroxy-3-(4-methoxyphenyl)-2-methyl-1-phenylpropan-1-one
InChI:
InChI=1S/C17H18O3/c1-12(16(18)13-6-4-3-5-7-13)17(19)14-8-10-15(20-2)11-9-14/h3-12,17,19H,1-2H3
InChI Key:
ACGOCZRLBYATQI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(C(C(=O)c1ccccc1)C)O
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.328g/mol
Monoisotopic Mass:
270.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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