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102676-84-6 | 1H-Imidazole-4-butanoic acid, 1-(triphenylmethyl)-
CAS No: 102676-84-6 Catalog No: AG00082M MDL No:
Product Description
Catalog Number:
AG00082M
Chemical Name:
1H-Imidazole-4-butanoic acid, 1-(triphenylmethyl)-
CAS Number:
102676-84-6
Molecular Formula:
C26H24N2O2
Molecular Weight:
396.4810
IUPAC Name:
4-(1-tritylimidazol-4-yl)butanoic acid
InChI:
InChI=1S/C26H24N2O2/c29-25(30)18-10-17-24-19-28(20-27-24)26(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-9,11-16,19-20H,10,17-18H2,(H,29,30)
InChI Key:
IHSMTAHISORELK-UHFFFAOYSA-N
SMILES:
OC(=O)CCCc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.184g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
396.49g/mol
Monoisotopic Mass:
396.184g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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