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14817-39-1 | Oxirane, 2-[[2-(2-propyn-1-yloxy)phenoxy]methyl]-
CAS No: 14817-39-1 Catalog No: AG001FII MDL No:
Product Description
Catalog Number:
AG001FII
Chemical Name:
Oxirane, 2-[[2-(2-propyn-1-yloxy)phenoxy]methyl]-
CAS Number:
14817-39-1
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
IUPAC Name:
2-[(2-prop-2-ynoxyphenoxy)methyl]oxirane
InChI:
InChI=1S/C12H12O3/c1-2-7-13-11-5-3-4-6-12(11)15-9-10-8-14-10/h1,3-6,10H,7-9H2
InChI Key:
OCDHRUIARWXIBR-UHFFFAOYSA-N
SMILES:
C#CCOc1ccccc1OCC1CO1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
31A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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