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30131-16-9 | 4-(4-Phenylbutoxy)benzoic acid
CAS No: 30131-16-9 Catalog No: AG003K4X MDL No:MFCD07787608
Product Description
Catalog Number:
AG003K4X
Chemical Name:
4-(4-Phenylbutoxy)benzoic acid
CAS Number:
30131-16-9
Molecular Formula:
C17H18O3
Molecular Weight:
270.3230
MDL Number:
MFCD07787608
IUPAC Name:
4-(4-phenylbutoxy)benzoic acid
InChI:
InChI=1S/C17H18O3/c18-17(19)15-9-11-16(12-10-15)20-13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8,13H2,(H,18,19)
InChI Key:
XWCWFMQMZZPALR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)OCCCCc1ccccc1
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.328g/mol
Monoisotopic Mass:
270.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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