Home Carboxys 1,5-naphthalenedicarboxylic acid

1,5-naphthalenedicarboxylic acid

CAS No.:
7315-96-0
Catalog Number:
AG01DWMV
Molecular Formula:
C12H8O4
Molecular Weight:
216.1895
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Product Description
Catalog Number:
AG01DWMV
Chemical Name:
1,5-naphthalenedicarboxylic acid
CAS Number:
7315-96-0
Molecular Formula:
C12H8O4
Molecular Weight:
216.1895
IUPAC Name:
naphthalene-1,5-dicarboxylic acid
InChI:
InChI=1S/C12H8O4/c13-11(14)9-5-1-3-7-8(9)4-2-6-10(7)12(15)16/h1-6H,(H,13,14)(H,15,16)
InChI Key:
DFFZOPXDTCDZDP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1cccc2C(=O)O
Properties
Complexity:
269  
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  
Properties