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87841-90-5 | 2-Pentanone, 5-phenoxy-
CAS No: 87841-90-5 Catalog No: AG004JG9 MDL No:
Product Description
Catalog Number:
AG004JG9
Chemical Name:
2-Pentanone, 5-phenoxy-
CAS Number:
87841-90-5
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
5-phenoxypentan-2-one
InChI:
InChI=1S/C11H14O2/c1-10(12)6-5-9-13-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9H2,1H3
InChI Key:
PTJYQTLCUCKWMM-UHFFFAOYSA-N
SMILES:
CC(=O)CCCOc1ccccc1
Properties
Complexity:
148
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:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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