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869116-45-0 | 5-Amino-1H-pyrrole-2-carboxylic acid
CAS No: 869116-45-0 Catalog No: AG004PBI MDL No:MFCD13193464
Product Description
Catalog Number:
AG004PBI
Chemical Name:
5-Amino-1H-pyrrole-2-carboxylic acid
CAS Number:
869116-45-0
Molecular Formula:
C5H6N2O2
Molecular Weight:
126.1133
MDL Number:
MFCD13193464
IUPAC Name:
5-amino-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C5H6N2O2/c6-4-2-1-3(7-4)5(8)9/h1-2,7H,6H2,(H,8,9)
InChI Key:
RXAHTXGBWNYBQI-UHFFFAOYSA-N
SMILES:
Nc1ccc([nH]1)C(=O)O
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.043g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
126.115g/mol
Monoisotopic Mass:
126.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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