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31039-64-2 | 1,4-Naphthalenedione, 5,6-dihydroxy-
CAS No: 31039-64-2 Catalog No: AG0031YD MDL No:
Product Description
Catalog Number:
AG0031YD
Chemical Name:
1,4-Naphthalenedione, 5,6-dihydroxy-
CAS Number:
31039-64-2
Molecular Formula:
C10H6O4
Molecular Weight:
190.1522
IUPAC Name:
5,8-dihydroxynaphthalene-1,2-dione
InChI:
InChI=1S/C10H6O4/c11-6-3-4-7(12)9-5(6)1-2-8(13)10(9)14/h1-4,11-12H
InChI Key:
BJOUHEDEMLBMLF-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)c2c1c(O)c(cc2)O
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.027g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.154g/mol
Monoisotopic Mass:
190.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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