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10045-65-5 | 1H-Imidazole-2-carboxaldehyde, 1-(phenylmethyl)-
CAS No: 10045-65-5 Catalog No: AG000211 MDL No:MFCD00088667
Product Description
Catalog Number:
AG000211
Chemical Name:
1H-Imidazole-2-carboxaldehyde, 1-(phenylmethyl)-
CAS Number:
10045-65-5
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD00088667
IUPAC Name:
1-benzylimidazole-2-carbaldehyde
InChI:
InChI=1S/C11H10N2O/c14-9-11-12-6-7-13(11)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChI Key:
AKFHFMMKMUJLBU-UHFFFAOYSA-N
SMILES:
O=Cc1nccn1Cc1ccccc1
NSC Number:
217911
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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