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80916-29-6 | Ethanone, 2-diazo-1-[4-(4-methoxyphenyl)-3-cyclohexen-1-yl]-
CAS No: 80916-29-6 Catalog No: AG0056XM MDL No:
Product Description
Catalog Number:
AG0056XM
Chemical Name:
Ethanone, 2-diazo-1-[4-(4-methoxyphenyl)-3-cyclohexen-1-yl]-
CAS Number:
80916-29-6
Molecular Formula:
C15H16N2O2
Molecular Weight:
256.2997
IUPAC Name:
2-diazo-1-[4-(4-methoxyphenyl)cyclohex-3-en-1-yl]ethanone
InChI:
InChI=1S/C15H16N2O2/c1-19-14-8-6-12(7-9-14)11-2-4-13(5-3-11)15(18)10-17-16/h2,6-10,13H,3-5H2,1H3
InChI Key:
SKCBXKWNFCKFCH-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=CC(=O)C1CCC(=CC1)c1ccc(cc1)OC
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.305g/mol
Monoisotopic Mass:
256.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
28.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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