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89518-41-2 | Oxirane, [[2-(cyclopropylmethoxy)phenoxy]methyl]-, (S)-
CAS No: 89518-41-2 Catalog No: AG0040VL MDL No:
Product Description
Catalog Number:
AG0040VL
Chemical Name:
Oxirane, [[2-(cyclopropylmethoxy)phenoxy]methyl]-, (S)-
CAS Number:
89518-41-2
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
IUPAC Name:
(2S)-2-[[2-(cyclopropylmethoxy)phenoxy]methyl]oxirane
InChI:
InChI=1S/C13H16O3/c1-2-4-13(16-9-11-8-14-11)12(3-1)15-7-10-5-6-10/h1-4,10-11H,5-9H2/t11-/m0/s1
InChI Key:
KFPBGBULCINOFF-NSHDSACASA-N
SMILES:
c1ccc(c(c1)OC[C@H]1OC1)OCC1CC1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
31A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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