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1321600-00-3 | 1H-Imidazole-5-carboxylic acid, 4-formyl-
CAS No: 1321600-00-3 Catalog No: AG0010BL MDL No:MFCD22200265
Product Description
Catalog Number:
AG0010BL
Chemical Name:
1H-Imidazole-5-carboxylic acid, 4-formyl-
CAS Number:
1321600-00-3
Molecular Formula:
C5H4N2O3
Molecular Weight:
140.0969
MDL Number:
MFCD22200265
IUPAC Name:
5-formyl-1H-imidazole-4-carboxylic acid
InChI:
InChI=1S/C5H4N2O3/c8-1-3-4(5(9)10)7-2-6-3/h1-2H,(H,6,7)(H,9,10)
InChI Key:
SSPYBJYEUFNDGW-UHFFFAOYSA-N
SMILES:
O=Cc1nc[nH]c1C(=O)O
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.022g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
140.098g/mol
Monoisotopic Mass:
140.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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