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831223-16-6 | Benzoic acid, 4-ethenyl-, (3-ethyl-3-oxetanyl)methyl ester
CAS No: 831223-16-6 Catalog No: AG004W3O MDL No:
Product Description
Catalog Number:
AG004W3O
Chemical Name:
Benzoic acid, 4-ethenyl-, (3-ethyl-3-oxetanyl)methyl ester
CAS Number:
831223-16-6
Molecular Formula:
C15H18O3
Molecular Weight:
246.3016
IUPAC Name:
(3-ethyloxetan-3-yl)methyl 4-ethenylbenzoate
InChI:
InChI=1S/C15H18O3/c1-3-12-5-7-13(8-6-12)14(16)18-11-15(4-2)9-17-10-15/h3,5-8H,1,4,9-11H2,2H3
InChI Key:
BYQRUMGPGGTSCU-UHFFFAOYSA-N
SMILES:
CCC1(COC(=O)c2ccc(cc2)C=C)COC1
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.306g/mol
Monoisotopic Mass:
246.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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