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250691-57-7 | 1,2-Naphthalenedione, 7-methyl-3-(1-methylethyl)-8-(4-methyl-3-oxopentyl)-
CAS No: 250691-57-7 Catalog No: AG002QD6 MDL No:
Product Description
Catalog Number:
AG002QD6
Chemical Name:
1,2-Naphthalenedione, 7-methyl-3-(1-methylethyl)-8-(4-methyl-3-oxopentyl)-
CAS Number:
250691-57-7
Molecular Formula:
C20H24O3
Molecular Weight:
312.4028
IUPAC Name:
7-methyl-8-(4-methyl-3-oxopentyl)-3-propan-2-ylnaphthalene-1,2-dione
InChI:
InChI=1S/C20H24O3/c1-11(2)16-10-14-7-6-13(5)15(8-9-17(21)12(3)4)18(14)20(23)19(16)22/h6-7,10-12H,8-9H2,1-5H3
InChI Key:
KDNPHTQAHFLSCY-UHFFFAOYSA-N
SMILES:
CC(C(=O)CCc1c(C)ccc2c1C(=O)C(=O)C(=C2)C(C)C)C
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.173g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.409g/mol
Monoisotopic Mass:
312.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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