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15012-55-2 | 1,4-Naphthalenedione, 5,8-dihydroxy-2,3-dimethoxy-
CAS No: 15012-55-2 Catalog No: AG001MCQ MDL No:
Product Description
Catalog Number:
AG001MCQ
Chemical Name:
1,4-Naphthalenedione, 5,8-dihydroxy-2,3-dimethoxy-
CAS Number:
15012-55-2
Molecular Formula:
C12H10O6
Molecular Weight:
250.2042
IUPAC Name:
5,8-dihydroxy-2,3-dimethoxynaphthalene-1,4-dione
InChI:
InChI=1S/C12H10O6/c1-17-11-9(15)7-5(13)3-4-6(14)8(7)10(16)12(11)18-2/h3-4,13-14H,1-2H3
InChI Key:
GZUPHENKUMUDQC-UHFFFAOYSA-N
SMILES:
COC1=C(OC)C(=O)c2c(C1=O)c(O)ccc2O
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.048g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.206g/mol
Monoisotopic Mass:
250.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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