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187837-40-7 | 1-Propanone, 2-methyl-1-[(2S,3R)-3-phenyl-2-oxiranyl]-
CAS No: 187837-40-7 Catalog No: AG002GJA MDL No:
Product Description
Catalog Number:
AG002GJA
Chemical Name:
1-Propanone, 2-methyl-1-[(2S,3R)-3-phenyl-2-oxiranyl]-
CAS Number:
187837-40-7
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
IUPAC Name:
2-methyl-1-[(2S,3R)-3-phenyloxiran-2-yl]propan-1-one
InChI:
InChI=1S/C12H14O2/c1-8(2)10(13)12-11(14-12)9-6-4-3-5-7-9/h3-8,11-12H,1-2H3/t11-,12-/m1/s1
InChI Key:
GDPOVAXQNPSNFT-VXGBXAGGSA-N
SMILES:
CC(C(=O)[C@H]1O[C@@H]1c1ccccc1)C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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