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20175-89-7 | 1,4-Naphthalenedione, 2-(1-methylethyl)-
CAS No: 20175-89-7 Catalog No: AG0027TX MDL No:
Product Description
Catalog Number:
AG0027TX
Chemical Name:
1,4-Naphthalenedione, 2-(1-methylethyl)-
CAS Number:
20175-89-7
Molecular Formula:
C13H12O2
Molecular Weight:
200.2332
IUPAC Name:
2-propan-2-ylnaphthalene-1,4-dione
InChI:
InChI=1S/C13H12O2/c1-8(2)11-7-12(14)9-5-3-4-6-10(9)13(11)15/h3-8H,1-2H3
InChI Key:
UXDUZIOHEZGEBC-UHFFFAOYSA-N
SMILES:
CC(C1=CC(=O)c2c(C1=O)cccc2)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.237g/mol
Monoisotopic Mass:
200.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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