Home Carboxys 2-Amino-1H-imidazole-5-carboxylic acid

2-Amino-1H-imidazole-5-carboxylic acid

CAS No.:
860011-60-5
Catalog Number:
AG004Q2M
Molecular Formula:
C4H5N3O2
Molecular Weight:
127.1014
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Product Description
Catalog Number:
AG004Q2M
Chemical Name:
2-Amino-1H-imidazole-5-carboxylic acid
CAS Number:
860011-60-5
Molecular Formula:
C4H5N3O2
Molecular Weight:
127.1014
MDL Number:
MFCD08668249
IUPAC Name:
2-amino-1H-imidazole-5-carboxylic acid
InChI:
InChI=1S/C4H5N3O2/c5-4-6-1-2(7-4)3(8)9/h1H,(H,8,9)(H3,5,6,7)
InChI Key:
YTYZMZQDGZMTJM-UHFFFAOYSA-N
SMILES:
Nc1ncc([nH]1)C(=O)O
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.038g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
127.103g/mol
Monoisotopic Mass:
127.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties