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871127-76-3 | 7-OXO-7-(3-PHENOXYPHENYL)HEPTANOIC ACID
CAS No: 871127-76-3 Catalog No: AG004TWE MDL No:
Product Description
Catalog Number:
AG004TWE
Chemical Name:
7-OXO-7-(3-PHENOXYPHENYL)HEPTANOIC ACID
CAS Number:
871127-76-3
Molecular Formula:
C19H20O4
Molecular Weight:
312.3597
IUPAC Name:
7-oxo-7-(3-phenoxyphenyl)heptanoic acid
InChI:
InChI=1S/C19H20O4/c20-18(12-5-2-6-13-19(21)22)15-8-7-11-17(14-15)23-16-9-3-1-4-10-16/h1,3-4,7-11,14H,2,5-6,12-13H2,(H,21,22)
InChI Key:
SYFGSXSIMQIKII-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCC(=O)c1cccc(c1)Oc1ccccc1
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.136g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.365g/mol
Monoisotopic Mass:
312.136g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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