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128432-44-0 | Cyclopentanone, 2-(3-methoxyphenyl)-2-methyl-, (2R)-
CAS No: 128432-44-0 Catalog No: AG000Y3A MDL No:
Product Description
Catalog Number:
AG000Y3A
Chemical Name:
Cyclopentanone, 2-(3-methoxyphenyl)-2-methyl-, (2R)-
CAS Number:
128432-44-0
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
(2R)-2-(3-methoxyphenyl)-2-methylcyclopentan-1-one
InChI:
InChI=1S/C13H16O2/c1-13(8-4-7-12(13)14)10-5-3-6-11(9-10)15-2/h3,5-6,9H,4,7-8H2,1-2H3/t13-/m1/s1
InChI Key:
MOOLJUVNQKREHU-CYBMUJFWSA-N
SMILES:
COc1cccc(c1)[C@@]1(C)CCCC1=O
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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