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102676-60-8 | 1H-Imidazole-4-propanoic acid, 1-(triphenylmethyl)-, methyl ester
CAS No: 102676-60-8 Catalog No: AG00082P MDL No:
Product Description
Catalog Number:
AG00082P
Chemical Name:
1H-Imidazole-4-propanoic acid, 1-(triphenylmethyl)-, methyl ester
CAS Number:
102676-60-8
Molecular Formula:
C26H24N2O2
Molecular Weight:
396.4810
IUPAC Name:
methyl 3-(1-tritylimidazol-4-yl)propanoate
InChI:
InChI=1S/C26H24N2O2/c1-30-25(29)18-17-24-19-28(20-27-24)26(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,19-20H,17-18H2,1H3
InChI Key:
FSUWVSSCCGVYLS-UHFFFAOYSA-N
SMILES:
COC(=O)CCc1ncn(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:
0
Isotope Atom Count:
0
Molecular Weight:
396.49g/mol
Monoisotopic Mass:
396.184g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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