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24549-65-3 | Benzenepropanoic acid, α,α-dimethyl-, 1,1-dimethylethyl ester
CAS No: 24549-65-3 Catalog No: AG002OI5 MDL No:
Product Description
Catalog Number:
AG002OI5
Chemical Name:
Benzenepropanoic acid, α,α-dimethyl-, 1,1-dimethylethyl ester
CAS Number:
24549-65-3
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
IUPAC Name:
tert-butyl 2,2-dimethyl-3-phenylpropanoate
InChI:
InChI=1S/C15H22O2/c1-14(2,3)17-13(16)15(4,5)11-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3
InChI Key:
MCYROJBNDZRHLS-UHFFFAOYSA-N
SMILES:
O=C(C(Cc1ccccc1)(C)C)OC(C)(C)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.339g/mol
Monoisotopic Mass:
234.162g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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