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101649-40-5 | 1-Propanone, 2-hydroxy-2-methyl-1-[4-(1-methylethenyl)phenyl]-
CAS No: 101649-40-5 Catalog No: AG00051I MDL No:
Product Description
Catalog Number:
AG00051I
Chemical Name:
1-Propanone, 2-hydroxy-2-methyl-1-[4-(1-methylethenyl)phenyl]-
CAS Number:
101649-40-5
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
2-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one
InChI:
InChI=1S/C13H16O2/c1-9(2)10-5-7-11(8-6-10)12(14)13(3,4)15/h5-8,15H,1H2,2-4H3
InChI Key:
IJBSPUKPEDBNKQ-UHFFFAOYSA-N
SMILES:
O=C(C(O)(C)C)c1ccc(cc1)C(=C)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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