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15121-66-1

15121-66-1 | 2-Pentanone, 4-hydroxy-4-phenyl-

CAS No: 15121-66-1 Catalog No: AG001N66 MDL No:

Product Description

Catalog Number:
AG001N66
Chemical Name:
2-Pentanone, 4-hydroxy-4-phenyl-
CAS Number:
15121-66-1
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
4-hydroxy-4-phenylpentan-2-one
InChI:
InChI=1S/C11H14O2/c1-9(12)8-11(2,13)10-6-4-3-5-7-10/h3-7,13H,8H2,1-2H3
InChI Key:
PHCFXVKZINSLAI-UHFFFAOYSA-N
SMILES:
CC(=O)CC(c1ccccc1)(O)C

Properties

Complexity:
183  
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:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

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