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1443351-28-7 | 4-n-Butylphenethyl acetate
CAS No: 1443351-28-7 Catalog No: AG01FFGQ MDL No:
Product Description
Catalog Number:
AG01FFGQ
Chemical Name:
4-n-Butylphenethyl acetate
CAS Number:
1443351-28-7
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
IUPAC Name:
2-(4-butylphenyl)ethyl acetate
InChI:
InChI=1S/C14H20O2/c1-3-4-5-13-6-8-14(9-7-13)10-11-16-12(2)15/h6-9H,3-5,10-11H2,1-2H3
InChI Key:
RSTIQKOPFHHBPZ-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)CCOC(=O)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.146g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.312g/mol
Monoisotopic Mass:
220.146g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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