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2040-10-0 | Ethanone, 1-[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]-
CAS No: 2040-10-0 Catalog No: AG00298H MDL No:MFCD00026301
Product Description
Catalog Number:
AG00298H
Chemical Name:
Ethanone, 1-[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]-
CAS Number:
2040-10-0
Molecular Formula:
C14H20O
Molecular Weight:
204.3080
MDL Number:
MFCD00026301
IUPAC Name:
1-(4-tert-butyl-2,6-dimethylphenyl)ethanone
InChI:
InChI=1S/C14H20O/c1-9-7-12(14(4,5)6)8-10(2)13(9)11(3)15/h7-8H,1-6H3
InChI Key:
JNHLHPMTMTYLCP-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(C)cc(cc1C)C(C)(C)C
EC Number:
218-037-8
UNII:
UN0DL0NR1U
NSC Number:
15340
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.151g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.313g/mol
Monoisotopic Mass:
204.151g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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