Home Aminos 2,5-Diaminoterephthalic acid

2,5-Diaminoterephthalic acid

CAS No.:
945-30-2
Catalog Number:
AG0032ZY
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
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Product Description
Catalog Number:
AG0032ZY
Chemical Name:
2,5-Diaminoterephthalic acid
CAS Number:
945-30-2
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
MDL Number:
MFCD00464161
IUPAC Name:
2,5-diaminoterephthalic acid
InChI:
InChI=1S/C8H8N2O4/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2H,9-10H2,(H,11,12)(H,13,14)
InChI Key:
WIOZZYWDYUOMAY-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(N)c(cc1N)C(=O)O
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.048g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
196.162g/mol
Monoisotopic Mass:
196.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties