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161512-00-1 | Methanone, [(2S,3R)-3-methyl-2-oxiranyl]phenyl-
CAS No: 161512-00-1 Catalog No: AG001VN1 MDL No:
Product Description
Catalog Number:
AG001VN1
Chemical Name:
Methanone, [(2S,3R)-3-methyl-2-oxiranyl]phenyl-
CAS Number:
161512-00-1
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
IUPAC Name:
[(2S,3R)-3-methyloxiran-2-yl]-phenylmethanone
InChI:
InChI=1S/C10H10O2/c1-7-10(12-7)9(11)8-5-3-2-4-6-8/h2-7,10H,1H3/t7-,10+/m1/s1
InChI Key:
PJQWDBYGSUMUBT-XCBNKYQSSA-N
SMILES:
C[C@H]1O[C@@H]1C(=O)c1ccccc1
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
162.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.188g/mol
Monoisotopic Mass:
162.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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