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160592-73-4 | 2,7-Naphthalenedicarboxylic acid, 3-hydroxy-
CAS No: 160592-73-4 Catalog No: AG001S22 MDL No:
Product Description
Catalog Number:
AG001S22
Chemical Name:
2,7-Naphthalenedicarboxylic acid, 3-hydroxy-
CAS Number:
160592-73-4
Molecular Formula:
C12H8O5
Molecular Weight:
232.1889
IUPAC Name:
3-hydroxynaphthalene-2,7-dicarboxylic acid
InChI:
InChI=1S/C12H8O5/c13-10-5-6-1-2-7(11(14)15)3-8(6)4-9(10)12(16)17/h1-5,13H,(H,14,15)(H,16,17)
InChI Key:
TVBXXOVRWRDFMB-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)cc(c(c2)O)C(=O)O
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.037g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
232.191g/mol
Monoisotopic Mass:
232.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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