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30300-91-5 | 2-Propen-1-one, 1-(3,3-dimethyl-2-oxiranyl)-3-phenyl-
CAS No: 30300-91-5 Catalog No: AG002ZL8 MDL No:
Product Description
Catalog Number:
AG002ZL8
Chemical Name:
2-Propen-1-one, 1-(3,3-dimethyl-2-oxiranyl)-3-phenyl-
CAS Number:
30300-91-5
Molecular Formula:
C13H14O2
Molecular Weight:
202.2491
IUPAC Name:
1-(3,3-dimethyloxiran-2-yl)-3-phenylprop-2-en-1-one
InChI:
InChI=1S/C13H14O2/c1-13(2)12(15-13)11(14)9-8-10-6-4-3-5-7-10/h3-9,12H,1-2H3
InChI Key:
MPUWLOQTJZELPI-UHFFFAOYSA-N
SMILES:
O=C(C1OC1(C)C)C=Cc1ccccc1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.099g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.253g/mol
Monoisotopic Mass:
202.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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