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168632-03-9 | 1H-Imidazole-4-acetic acid, 1-(triphenylmethyl)-
CAS No: 168632-03-9 Catalog No: AG001Y7I MDL No:
Product Description
Catalog Number:
AG001Y7I
Chemical Name:
1H-Imidazole-4-acetic acid, 1-(triphenylmethyl)-
CAS Number:
168632-03-9
Molecular Formula:
C24H20N2O2
Molecular Weight:
368.4278
IUPAC Name:
2-(1-tritylimidazol-4-yl)acetic acid
InChI:
InChI=1S/C24H20N2O2/c27-23(28)16-22-17-26(18-25-22)24(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17-18H,16H2,(H,27,28)
InChI Key:
QJSMFMHNXGZJOU-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.152g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
368.436g/mol
Monoisotopic Mass:
368.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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