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13694-96-7 | Oxirane, 2-methoxy-3,3-dimethyl-2-phenyl-
CAS No: 13694-96-7 Catalog No: AG0012L7 MDL No:
Product Description
Catalog Number:
AG0012L7
Chemical Name:
Oxirane, 2-methoxy-3,3-dimethyl-2-phenyl-
CAS Number:
13694-96-7
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
2-methoxy-3,3-dimethyl-2-phenyloxirane
InChI:
InChI=1S/C11H14O2/c1-10(2)11(12-3,13-10)9-7-5-4-6-8-9/h4-8H,1-3H3
InChI Key:
VRWKKNHCINTJMN-UHFFFAOYSA-N
SMILES:
COC1(OC1(C)C)c1ccccc1
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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