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71048-65-2 | Oxirane, [(4-methoxyphenoxy)methyl]-, (S)-
CAS No: 71048-65-2 Catalog No: AG005ESJ MDL No:
Product Description
Catalog Number:
AG005ESJ
Chemical Name:
Oxirane, [(4-methoxyphenoxy)methyl]-, (S)-
CAS Number:
71048-65-2
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
IUPAC Name:
(2S)-2-[(4-methoxyphenoxy)methyl]oxirane
InChI:
InChI=1S/C10H12O3/c1-11-8-2-4-9(5-3-8)12-6-10-7-13-10/h2-5,10H,6-7H2,1H3/t10-/m1/s1
InChI Key:
AVWGFHZLPMLKBL-SNVBAGLBSA-N
SMILES:
COc1ccc(cc1)OC[C@H]1OC1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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