Home Carboxys 1,3-Benzenedicarboxylic acid, 5-cyano-

1,3-Benzenedicarboxylic acid, 5-cyano-

CAS No.:
23341-13-1
Catalog Number:
AG002MXB
Molecular Formula:
C9H5NO4
Molecular Weight:
191.1403
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Product Description
Catalog Number:
AG002MXB
Chemical Name:
1,3-Benzenedicarboxylic acid, 5-cyano-
CAS Number:
23341-13-1
Molecular Formula:
C9H5NO4
Molecular Weight:
191.1403
MDL Number:
MFCD16621431
IUPAC Name:
5-cyanobenzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C9H5NO4/c10-4-5-1-6(8(11)12)3-7(2-5)9(13)14/h1-3H,(H,11,12)(H,13,14)
InChI Key:
YKADUTAIRWMMFI-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cc(c1)C(=O)O)C(=O)O
EC Number:
245-594-4
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.022g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
191.142g/mol
Monoisotopic Mass:
191.022g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties