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2089-93-2 | 1,3-Naphthalenedicarboxylic acid
CAS No: 2089-93-2 Catalog No: AG002JY4 MDL No:
Product Description
Catalog Number:
AG002JY4
Chemical Name:
1,3-Naphthalenedicarboxylic acid
CAS Number:
2089-93-2
Molecular Formula:
C12H8O4
Molecular Weight:
216.1895
IUPAC Name:
naphthalene-1,3-dicarboxylic acid
InChI:
InChI=1S/C12H8O4/c13-11(14)8-5-7-3-1-2-4-9(7)10(6-8)12(15)16/h1-6H,(H,13,14)(H,15,16)
InChI Key:
CHDRADPXNRULGA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc2c1cccc2)C(=O)O
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
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