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160446-35-5 | 1H-Imidazole-4-propanoic acid, 1-(triphenylmethyl)-
CAS No: 160446-35-5 Catalog No: AG001RXB MDL No:MFCD00237290
Product Description
Catalog Number:
AG001RXB
Chemical Name:
1H-Imidazole-4-propanoic acid, 1-(triphenylmethyl)-
CAS Number:
160446-35-5
Molecular Formula:
C25H22N2O2
Molecular Weight:
382.4544
MDL Number:
MFCD00237290
IUPAC Name:
3-(1-tritylimidazol-4-yl)propanoic acid
InChI:
InChI=1S/C25H22N2O2/c28-24(29)17-16-23-18-27(19-26-23)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18-19H,16-17H2,(H,28,29)
InChI Key:
WPUNOGRJNPUUQT-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.168g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
382.463g/mol
Monoisotopic Mass:
382.168g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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