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158425-75-3 | Benzenepropanoic acid, (3-methyl-3-oxetanyl)methyl ester
CAS No: 158425-75-3 Catalog No: AG001Q73 MDL No:
Product Description
Catalog Number:
AG001Q73
Chemical Name:
Benzenepropanoic acid, (3-methyl-3-oxetanyl)methyl ester
CAS Number:
158425-75-3
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
IUPAC Name:
(3-methyloxetan-3-yl)methyl 3-phenylpropanoate
InChI:
InChI=1S/C14H18O3/c1-14(9-16-10-14)11-17-13(15)8-7-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChI Key:
TUQQHDRVAZSPFI-UHFFFAOYSA-N
SMILES:
O=C(OCC1(C)COC1)CCc1ccccc1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.295g/mol
Monoisotopic Mass:
234.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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