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102632-07-5 | 1,4-Naphthalenedione, 2,3-dimethoxy-5-methyl-
CAS No: 102632-07-5 Catalog No: AG000802 MDL No:
Product Description
Catalog Number:
AG000802
Chemical Name:
1,4-Naphthalenedione, 2,3-dimethoxy-5-methyl-
CAS Number:
102632-07-5
Molecular Formula:
C13H12O4
Molecular Weight:
232.2320
IUPAC Name:
2,3-dimethoxy-5-methylnaphthalene-1,4-dione
InChI:
InChI=1S/C13H12O4/c1-7-5-4-6-8-9(7)11(15)13(17-3)12(16-2)10(8)14/h4-6H,1-3H3
InChI Key:
BGIBLSNQORNFEG-UHFFFAOYSA-N
SMILES:
COC1=C(OC)C(=O)c2c(C1=O)c(C)ccc2
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.235g/mol
Monoisotopic Mass:
232.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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