Home Carboxys 1H-Pyrrole-3,4-dicarboxylic acid

1H-Pyrrole-3,4-dicarboxylic acid

CAS No.:
935-72-8
Catalog Number:
AG00IHND
Molecular Formula:
C6H5NO4
Molecular Weight:
155.1082
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Product Description
Catalog Number:
AG00IHND
Chemical Name:
1H-Pyrrole-3,4-dicarboxylic acid
CAS Number:
935-72-8
Molecular Formula:
C6H5NO4
Molecular Weight:
155.1082
MDL Number:
MFCD03931632
IUPAC Name:
1H-pyrrole-3,4-dicarboxylic acid
InChI:
InChI=1S/C6H5NO4/c8-5(9)3-1-7-2-4(3)6(10)11/h1-2,7H,(H,8,9)(H,10,11)
InChI Key:
JFVDNCRMBALUKH-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]cc1C(=O)O
NSC Number:
625159
Properties
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.022g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
155.109g/mol
Monoisotopic Mass:
155.022g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties