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201804-19-5 | 1-Propanone, 1-[(2R,3S)-3-(4-methoxyphenyl)-2-oxiranyl]-2,2-dimethyl-
CAS No: 201804-19-5 Catalog No: AG0027U4 MDL No:
Product Description
Catalog Number:
AG0027U4
Chemical Name:
1-Propanone, 1-[(2R,3S)-3-(4-methoxyphenyl)-2-oxiranyl]-2,2-dimethyl-
CAS Number:
201804-19-5
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
IUPAC Name:
1-[(2R,3S)-3-(4-methoxyphenyl)oxiran-2-yl]-2,2-dimethylpropan-1-one
InChI:
InChI=1S/C14H18O3/c1-14(2,3)13(15)12-11(17-12)9-5-7-10(16-4)8-6-9/h5-8,11-12H,1-4H3/t11-,12+/m0/s1
InChI Key:
ADAQMVZSBHGGOZ-NWDGAFQWSA-N
SMILES:
COc1ccc(cc1)[C@@H]1O[C@H]1C(=O)C(C)(C)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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