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130493-12-8 | 1H-Imidazole-2-carboxylic acid, 5-phenyl-, ethyl ester
CAS No: 130493-12-8 Catalog No: AG000UIC MDL No:
Product Description
Catalog Number:
AG000UIC
Chemical Name:
1H-Imidazole-2-carboxylic acid, 5-phenyl-, ethyl ester
CAS Number:
130493-12-8
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
IUPAC Name:
ethyl 5-phenyl-1H-imidazole-2-carboxylate
InChI:
InChI=1S/C12H12N2O2/c1-2-16-12(15)11-13-8-10(14-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14)
InChI Key:
DNBIUWPIJOWUEU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncc([nH]1)c1ccccc1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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