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100121-80-0 | Methanone, cyclobutyl(4-methoxyphenyl)-
CAS No: 100121-80-0 Catalog No: AG00010Y MDL No:MFCD03841250
Product Description
Catalog Number:
AG00010Y
Chemical Name:
Methanone, cyclobutyl(4-methoxyphenyl)-
CAS Number:
100121-80-0
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
MDL Number:
MFCD03841250
IUPAC Name:
cyclobutyl-(4-methoxyphenyl)methanone
InChI:
InChI=1S/C12H14O2/c1-14-11-7-5-10(6-8-11)12(13)9-3-2-4-9/h5-9H,2-4H2,1H3
InChI Key:
ZFYOOJLCJQTVHL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)C1CCC1
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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