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89131-32-8 | 1,4-Naphthalenedione, 2,3-bis(1-methylethoxy)-
CAS No: 89131-32-8 Catalog No: AG003XNX MDL No:
Product Description
Catalog Number:
AG003XNX
Chemical Name:
1,4-Naphthalenedione, 2,3-bis(1-methylethoxy)-
CAS Number:
89131-32-8
Molecular Formula:
C16H18O4
Molecular Weight:
274.3117
IUPAC Name:
2,3-di(propan-2-yloxy)naphthalene-1,4-dione
InChI:
InChI=1S/C16H18O4/c1-9(2)19-15-13(17)11-7-5-6-8-12(11)14(18)16(15)20-10(3)4/h5-10H,1-4H3
InChI Key:
GFCBQNWHJNGVSP-UHFFFAOYSA-N
SMILES:
CC(OC1=C(OC(C)C)C(=O)c2c(C1=O)cccc2)C
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.316g/mol
Monoisotopic Mass:
274.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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