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20907-23-7 | 1-Pentanone, 2-hydroxy-1-phenyl-
CAS No: 20907-23-7 Catalog No: AG002K1B MDL No:
Product Description
Catalog Number:
AG002K1B
Chemical Name:
1-Pentanone, 2-hydroxy-1-phenyl-
CAS Number:
20907-23-7
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
2-hydroxy-1-phenylpentan-1-one
InChI:
InChI=1S/C11H14O2/c1-2-6-10(12)11(13)9-7-4-3-5-8-9/h3-5,7-8,10,12H,2,6H2,1H3
InChI Key:
ZLBRYWTYPCYOKF-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)c1ccccc1)O
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:
2.2
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