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80213-80-5 | 1,4-Naphthalenedione, 5-methoxy-2-methyl-3-(1-methylethyl)-
CAS No: 80213-80-5 Catalog No: AG0054D4 MDL No:
Product Description
Catalog Number:
AG0054D4
Chemical Name:
1,4-Naphthalenedione, 5-methoxy-2-methyl-3-(1-methylethyl)-
CAS Number:
80213-80-5
Molecular Formula:
C15H16O3
Molecular Weight:
244.2857
IUPAC Name:
5-methoxy-2-methyl-3-propan-2-ylnaphthalene-1,4-dione
InChI:
InChI=1S/C15H16O3/c1-8(2)12-9(3)14(16)10-6-5-7-11(18-4)13(10)15(12)17/h5-8H,1-4H3
InChI Key:
YZLCDOKHGMAVMB-UHFFFAOYSA-N
SMILES:
COc1cccc2c1C(=O)C(=C(C2=O)C)C(C)C
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.29g/mol
Monoisotopic Mass:
244.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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