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18075-64-4 | 1H-Imidazole-4-carboxylic acid, 1-phenyl-
CAS No: 18075-64-4 Catalog No: AG0022BK MDL No:MFCD13193504
Product Description
Catalog Number:
AG0022BK
Chemical Name:
1H-Imidazole-4-carboxylic acid, 1-phenyl-
CAS Number:
18075-64-4
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD13193504
IUPAC Name:
1-phenylimidazole-4-carboxylic acid
InChI:
InChI=1S/C10H8N2O2/c13-10(14)9-6-12(7-11-9)8-4-2-1-3-5-8/h1-7H,(H,13,14)
InChI Key:
DBYLAWFMMVZTRR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncn(c1)c1ccccc1
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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