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2089-87-4 | 1,6-naphthalenedicarboxylic acid
CAS No: 2089-87-4 Catalog No: AG002JY7 MDL No:
Product Description
Catalog Number:
AG002JY7
Chemical Name:
1,6-naphthalenedicarboxylic acid
CAS Number:
2089-87-4
Molecular Formula:
C12H8O4
Molecular Weight:
216.1895
IUPAC Name:
naphthalene-1,6-dicarboxylic acid
InChI:
InChI=1S/C12H8O4/c13-11(14)8-4-5-9-7(6-8)2-1-3-10(9)12(15)16/h1-6H,(H,13,14)(H,15,16)
InChI Key:
VAWFFNJAPKXVPH-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)cccc2C(=O)O
EC Number:
218-234-9
NSC Number:
87585
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.192g/mol
Monoisotopic Mass:
216.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Utilization of a peptide lead for the discovery of a novel PTP1B-binding motif. | Journal of medicinal chemistry 20010830 |
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