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23471-35-4 | Heptanoic acid, 2-([1,1'-biphenyl]-4-yloxy)-
CAS No: 23471-35-4 Catalog No: AG002ND1 MDL No:
Product Description
Catalog Number:
AG002ND1
Chemical Name:
Heptanoic acid, 2-([1,1'-biphenyl]-4-yloxy)-
CAS Number:
23471-35-4
Molecular Formula:
C19H22O3
Molecular Weight:
298.3762
IUPAC Name:
2-(4-phenylphenoxy)heptanoic acid
InChI:
InChI=1S/C19H22O3/c1-2-3-5-10-18(19(20)21)22-17-13-11-16(12-14-17)15-8-6-4-7-9-15/h4,6-9,11-14,18H,2-3,5,10H2,1H3,(H,20,21)
InChI Key:
WEAFBPWCYVGTAB-UHFFFAOYSA-N
SMILES:
CCCCCC(C(=O)O)Oc1ccc(cc1)c1ccccc1
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.157g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.382g/mol
Monoisotopic Mass:
298.157g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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