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1674-37-9 | 1-Octanone, 1-phenyl-
CAS No: 1674-37-9 Catalog No: AG001XD1 MDL No:MFCD00003554
Product Description
Catalog Number:
AG001XD1
Chemical Name:
1-Octanone, 1-phenyl-
CAS Number:
1674-37-9
Molecular Formula:
C14H20O
Molecular Weight:
204.3080
MDL Number:
MFCD00003554
IUPAC Name:
1-phenyloctan-1-one
InChI:
InChI=1S/C14H20O/c1-2-3-4-5-9-12-14(15)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3
InChI Key:
UDEVCZRUNOLVLU-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)c1ccccc1
EC Number:
216-817-2
UNII:
KQY234FG9L
NSC Number:
22009
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.151g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.313g/mol
Monoisotopic Mass:
204.151g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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