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2-Phenyl-1H-imidazole-4-carboxylic acid hydrate

CAS No.:
1052410-02-2
Catalog Number:
AG008TO0
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
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Product Description
Catalog Number:
AG008TO0
Chemical Name:
2-Phenyl-1H-imidazole-4-carboxylic acid hydrate
CAS Number:
1052410-02-2
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
MDL Number:
MFCD04974056
IUPAC Name:
2-phenyl-1H-imidazole-5-carboxylic acid;hydrate
InChI:
InChI=1S/C10H8N2O2.H2O/c13-10(14)8-6-11-9(12-8)7-4-2-1-3-5-7;/h1-6H,(H,11,12)(H,13,14);1H2
InChI Key:
YIVKWERKOGOQBV-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c(n1)c1ccccc1.O
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.069g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties