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116343-89-6 | 1H-Imidazole-4-carboxylic acid, 1-phenyl-, methyl ester
CAS No: 116343-89-6 Catalog No: AG000C8K MDL No:
Product Description
Catalog Number:
AG000C8K
Chemical Name:
1H-Imidazole-4-carboxylic acid, 1-phenyl-, methyl ester
CAS Number:
116343-89-6
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
IUPAC Name:
methyl 1-phenylimidazole-4-carboxylate
InChI:
InChI=1S/C11H10N2O2/c1-15-11(14)10-7-13(8-12-10)9-5-3-2-4-6-9/h2-8H,1H3
InChI Key:
PLFZRIONUNNYOY-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncn(c1)c1ccccc1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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