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303047-16-7 | 2-Cyclohexen-1-one, 3-phenoxy-
CAS No: 303047-16-7 Catalog No: AG002ZLM MDL No:
Product Description
Catalog Number:
AG002ZLM
Chemical Name:
2-Cyclohexen-1-one, 3-phenoxy-
CAS Number:
303047-16-7
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
IUPAC Name:
3-phenoxycyclohex-2-en-1-one
InChI:
InChI=1S/C12H12O2/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-3,6-7,9H,4-5,8H2
InChI Key:
GBSRFNJOYKWQBR-UHFFFAOYSA-N
SMILES:
O=C1CCCC(=C1)Oc1ccccc1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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