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71031-03-3 | (S)-2-Oxiranylanisole
CAS No: 71031-03-3 Catalog No: AG003CL9 MDL No:MFCD06659026
Product Description
Catalog Number:
AG003CL9
Chemical Name:
(S)-2-Oxiranylanisole
CAS Number:
71031-03-3
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
MDL Number:
MFCD06659026
IUPAC Name:
(2S)-2-(phenoxymethyl)oxirane
InChI:
InChI=1S/C9H10O2/c1-2-4-8(5-3-1)10-6-9-7-11-9/h1-5,9H,6-7H2/t9-/m1/s1
InChI Key:
FQYUMYWMJTYZTK-SECBINFHSA-N
SMILES:
COc1ccccc1[C@H]1CO1
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
150.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.177g/mol
Monoisotopic Mass:
150.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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