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143936-29-2 | 1-Penten-3-one, 1,1'-(1,4-phenylene)bis[4,4-dimethyl-
CAS No: 143936-29-2 Catalog No: AG001IN6 MDL No:
Product Description
Catalog Number:
AG001IN6
Chemical Name:
1-Penten-3-one, 1,1'-(1,4-phenylene)bis[4,4-dimethyl-
CAS Number:
143936-29-2
Molecular Formula:
C20H26O2
Molecular Weight:
298.4192
IUPAC Name:
1-[4-(4,4-dimethyl-3-oxopent-1-enyl)phenyl]-4,4-dimethylpent-1-en-3-one
InChI:
InChI=1S/C20H26O2/c1-19(2,3)17(21)13-11-15-7-9-16(10-8-15)12-14-18(22)20(4,5)6/h7-14H,1-6H3
InChI Key:
PVAIXUQSPUNOSS-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)C=Cc1ccc(cc1)C=CC(=O)C(C)(C)C
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.193g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.426g/mol
Monoisotopic Mass:
298.193g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.9
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