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1502811-19-9 | 1H-Imidazole-2-carboxylic acid, 1-(phenylmethyl)-, methyl ester
CAS No: 1502811-19-9 Catalog No: AG001MGH MDL No:MFCD26680731
Product Description
Catalog Number:
AG001MGH
Chemical Name:
1H-Imidazole-2-carboxylic acid, 1-(phenylmethyl)-, methyl ester
CAS Number:
1502811-19-9
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD26680731
IUPAC Name:
methyl 1-benzylimidazole-2-carboxylate
InChI:
InChI=1S/C12H12N2O2/c1-16-12(15)11-13-7-8-14(11)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChI Key:
KBUXJKNIDYTSFX-UHFFFAOYSA-N
SMILES:
COC(=O)c1nccn1Cc1ccccc1
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:
0
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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