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144429-21-0 | 1-Butanol, 4-(ethenyloxy)-, 1-benzoate
CAS No: 144429-21-0 Catalog No: AG001JIG MDL No:
Product Description
Catalog Number:
AG001JIG
Chemical Name:
1-Butanol, 4-(ethenyloxy)-, 1-benzoate
CAS Number:
144429-21-0
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
IUPAC Name:
4-ethenoxybutyl benzoate
InChI:
InChI=1S/C13H16O3/c1-2-15-10-6-7-11-16-13(14)12-8-4-3-5-9-12/h2-5,8-9H,1,6-7,10-11H2
InChI Key:
AKQVBBOVHAEKMA-UHFFFAOYSA-N
SMILES:
C=COCCCCOC(=O)c1ccccc1
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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