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130752-21-5 | 2,3-Naphthalenedicarboxylic acid, 1-(3,4-dihydroxyphenyl)-1,2-dihydro-6,7-dihydroxy-
CAS No: 130752-21-5 Catalog No: AG000UWN MDL No:
Product Description
Catalog Number:
AG000UWN
Chemical Name:
2,3-Naphthalenedicarboxylic acid, 1-(3,4-dihydroxyphenyl)-1,2-dihydro-6,7-dihydroxy-
CAS Number:
130752-21-5
Molecular Formula:
C18H14O8
Molecular Weight:
358.2990
IUPAC Name:
1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2,3-dicarboxylic acid
InChI:
InChI=1S/C18H14O8/c19-11-2-1-7(4-12(11)20)15-9-6-14(22)13(21)5-8(9)3-10(17(23)24)16(15)18(25)26/h1-6,15-16,19-22H,(H,23,24)(H,25,26)
InChI Key:
WJMFXQBNYLYADA-UHFFFAOYSA-N
SMILES:
OC(=O)C1=Cc2cc(O)c(cc2C(C1C(=O)O)c1ccc(c(c1)O)O)O
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.069g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
358.302g/mol
Monoisotopic Mass:
358.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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