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119046-91-2 | Cyclohexanone, 2-[4-(1,1-dimethylethyl)phenyl]-
CAS No: 119046-91-2 Catalog No: AG000I46 MDL No:
Product Description
Catalog Number:
AG000I46
Chemical Name:
Cyclohexanone, 2-[4-(1,1-dimethylethyl)phenyl]-
CAS Number:
119046-91-2
Molecular Formula:
C16H22O
Molecular Weight:
230.3453
IUPAC Name:
2-(4-tert-butylphenyl)cyclohexan-1-one
InChI:
InChI=1S/C16H22O/c1-16(2,3)13-10-8-12(9-11-13)14-6-4-5-7-15(14)17/h8-11,14H,4-7H2,1-3H3
InChI Key:
JMNKBCOUWPCVBA-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1c1ccc(cc1)C(C)(C)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.167g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.351g/mol
Monoisotopic Mass:
230.167g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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