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20637-07-4 | [1,1'-Biphenyl]-4-butanoic acid, methyl ester
CAS No: 20637-07-4 Catalog No: AG002IGV MDL No:
Product Description
Catalog Number:
AG002IGV
Chemical Name:
[1,1'-Biphenyl]-4-butanoic acid, methyl ester
CAS Number:
20637-07-4
Molecular Formula:
C17H18O2
Molecular Weight:
254.3236
IUPAC Name:
methyl 4-(4-phenylphenyl)butanoate
InChI:
InChI=1S/C17H18O2/c1-19-17(18)9-5-6-14-10-12-16(13-11-14)15-7-3-2-4-8-15/h2-4,7-8,10-13H,5-6,9H2,1H3
InChI Key:
ZKYIDZVHHNPNSZ-UHFFFAOYSA-N
SMILES:
COC(=O)CCCc1ccc(cc1)c1ccccc1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.329g/mol
Monoisotopic Mass:
254.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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