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871127-74-1 | 5-OXO-5-(4-PHENOXYPHENYL)VALERIC ACID
CAS No: 871127-74-1 Catalog No: AG004OWV MDL No:
Product Description
Catalog Number:
AG004OWV
Chemical Name:
5-OXO-5-(4-PHENOXYPHENYL)VALERIC ACID
CAS Number:
871127-74-1
Molecular Formula:
C17H16O4
Molecular Weight:
284.3065
IUPAC Name:
5-oxo-5-(4-phenoxyphenyl)pentanoic acid
InChI:
InChI=1S/C17H16O4/c18-16(7-4-8-17(19)20)13-9-11-15(12-10-13)21-14-5-2-1-3-6-14/h1-3,5-6,9-12H,4,7-8H2,(H,19,20)
InChI Key:
ZALMNZZANOZMRV-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Oc1ccccc1)CCCC(=O)O
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.311g/mol
Monoisotopic Mass:
284.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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