Home Carboxys 5-carbamoyl-1H-pyrrole-2-carboxylic acid

5-carbamoyl-1H-pyrrole-2-carboxylic acid

CAS No.:
1820641-87-9
Catalog Number:
AG01ANC5
Molecular Formula:
C6H6N2O3
Molecular Weight:
154.1234
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Product Description
Catalog Number:
AG01ANC5
Chemical Name:
5-carbamoyl-1H-pyrrole-2-carboxylic acid
CAS Number:
1820641-87-9
Molecular Formula:
C6H6N2O3
Molecular Weight:
154.1234
MDL Number:
MFCD29034222
IUPAC Name:
5-carbamoyl-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C6H6N2O3/c7-5(9)3-1-2-4(8-3)6(10)11/h1-2,8H,(H2,7,9)(H,10,11)
InChI Key:
NRZWDKZETVFCFU-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc([nH]1)C(=O)O
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.038g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
154.125g/mol
Monoisotopic Mass:
154.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties