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140468-49-1 | 1,4-Naphthalenedione, 2-butyl-7-methyl-
CAS No: 140468-49-1 Catalog No: AG001CHG MDL No:
Product Description
Catalog Number:
AG001CHG
Chemical Name:
1,4-Naphthalenedione, 2-butyl-7-methyl-
CAS Number:
140468-49-1
Molecular Formula:
C15H16O2
Molecular Weight:
228.2863
IUPAC Name:
2-butyl-7-methylnaphthalene-1,4-dione
InChI:
InChI=1S/C15H16O2/c1-3-4-5-11-9-14(16)12-7-6-10(2)8-13(12)15(11)17/h6-9H,3-5H2,1-2H3
InChI Key:
QIUQSWZBJFGBCA-UHFFFAOYSA-N
SMILES:
CCCCC1=CC(=O)c2c(C1=O)cc(cc2)C
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.291g/mol
Monoisotopic Mass:
228.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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