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7472-43-7 | 7-Oxo-7-phenylheptanoic acid
CAS No: 7472-43-7 Catalog No: AG003N37 MDL No:MFCD00039608
Product Description
Catalog Number:
AG003N37
Chemical Name:
7-Oxo-7-phenylheptanoic acid
CAS Number:
7472-43-7
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
MDL Number:
MFCD00039608
IUPAC Name:
7-oxo-7-phenylheptanoic acid
InChI:
InChI=1S/C13H16O3/c14-12(11-7-3-1-4-8-11)9-5-2-6-10-13(15)16/h1,3-4,7-8H,2,5-6,9-10H2,(H,15,16)
InChI Key:
DOQWHEUDAHLEPT-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCC(=O)c1ccccc1
NSC Number:
401949
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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