Home Other Building Blocks 1-[4-hydroxy-3-(propan-2-yl)phenyl]-2-methylpropan-1-one

1-[4-hydroxy-3-(propan-2-yl)phenyl]-2-methylpropan-1-one

CAS No.:
1508439-94-8
Catalog Number:
AG01BFBS
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
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Product Description
Catalog Number:
AG01BFBS
Chemical Name:
1-[4-hydroxy-3-(propan-2-yl)phenyl]-2-methylpropan-1-one
CAS Number:
1508439-94-8
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
MDL Number:
MFCD24076352
IUPAC Name:
1-(4-hydroxy-3-propan-2-ylphenyl)-2-methylpropan-1-one
InChI:
InChI=1S/C13H18O2/c1-8(2)11-7-10(5-6-12(11)14)13(15)9(3)4/h5-9,14H,1-4H3
InChI Key:
LRRSOFPQSXMDKB-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)C(C)C)O)C(C)C
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties