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69217-50-1 | tert-butyl 3-methyl-3-phenyloxirane-2-carboxylate
CAS No: 69217-50-1 Catalog No: AG005KKT MDL No:
Product Description
Catalog Number:
AG005KKT
Chemical Name:
tert-butyl 3-methyl-3-phenyloxirane-2-carboxylate
CAS Number:
69217-50-1
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
IUPAC Name:
tert-butyl 3-methyl-3-phenyloxirane-2-carboxylate
InChI:
InChI=1S/C14H18O3/c1-13(2,3)17-12(15)11-14(4,16-11)10-8-6-5-7-9-10/h5-9,11H,1-4H3
InChI Key:
CTGZYSALYIKEQC-UHFFFAOYSA-N
SMILES:
O=C(C1OC1(C)c1ccccc1)OC(C)(C)C
NSC Number:
118779
Properties
Complexity:
299
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:
4
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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