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141676-08-6 | Benzoic acid, 4-butyl-, butyl ester
CAS No: 141676-08-6 Catalog No: AG001GVA MDL No:
Product Description
Catalog Number:
AG001GVA
Chemical Name:
Benzoic acid, 4-butyl-, butyl ester
CAS Number:
141676-08-6
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
IUPAC Name:
butyl 4-butylbenzoate
InChI:
InChI=1S/C15H22O2/c1-3-5-7-13-8-10-14(11-9-13)15(16)17-12-6-4-2/h8-11H,3-7,12H2,1-2H3
InChI Key:
CBJILYZAALBXKE-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)c1ccc(cc1)CCCC
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.339g/mol
Monoisotopic Mass:
234.162g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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