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1144-38-3 | Ethanone, 1-[3,4-bis(1,1-dimethylethyl)phenyl]-
CAS No: 1144-38-3 Catalog No: AG000B9G MDL No:
Product Description
Catalog Number:
AG000B9G
Chemical Name:
Ethanone, 1-[3,4-bis(1,1-dimethylethyl)phenyl]-
CAS Number:
1144-38-3
Molecular Formula:
C16H24O
Molecular Weight:
232.3612
IUPAC Name:
1-(3,4-ditert-butylphenyl)ethanone
InChI:
InChI=1S/C16H24O/c1-11(17)12-8-9-13(15(2,3)4)14(10-12)16(5,6)7/h8-10H,1-7H3
InChI Key:
WTYPPVMPZNEGDP-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(c(c1)C(C)(C)C)C(C)(C)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.183g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.367g/mol
Monoisotopic Mass:
232.183g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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