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1364663-26-2 | Acetic acid, 2-(cyclobutyloxy)-, phenylmethyl ester
CAS No: 1364663-26-2 Catalog No: AG0011VG MDL No:MFCD21648270
Product Description
Catalog Number:
AG0011VG
Chemical Name:
Acetic acid, 2-(cyclobutyloxy)-, phenylmethyl ester
CAS Number:
1364663-26-2
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
MDL Number:
MFCD21648270
IUPAC Name:
benzyl 2-cyclobutyloxyacetate
InChI:
InChI=1S/C13H16O3/c14-13(10-15-12-7-4-8-12)16-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChI Key:
KUYWMBMETZVYBY-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)COC1CCC1
Properties
Complexity:
217
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:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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