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206446-98-2 | 2-Pentanone, 4-hydroxy-5-phenyl-
CAS No: 206446-98-2 Catalog No: AG002IHW MDL No:
Product Description
Catalog Number:
AG002IHW
Chemical Name:
2-Pentanone, 4-hydroxy-5-phenyl-
CAS Number:
206446-98-2
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
4-hydroxy-5-phenylpentan-2-one
InChI:
InChI=1S/C11H14O2/c1-9(12)7-11(13)8-10-5-3-2-4-6-10/h2-6,11,13H,7-8H2,1H3
InChI Key:
WLYDVDCMHLCWTF-UHFFFAOYSA-N
SMILES:
OC(Cc1ccccc1)CC(=O)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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