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102676-68-6 | 1H-Imidazole-4-pentanoic acid, 1-(triphenylmethyl)-, ethyl ester
CAS No: 102676-68-6 Catalog No: AG00082N MDL No:
Product Description
Catalog Number:
AG00082N
Chemical Name:
1H-Imidazole-4-pentanoic acid, 1-(triphenylmethyl)-, ethyl ester
CAS Number:
102676-68-6
Molecular Formula:
C29H30N2O2
Molecular Weight:
438.5607
IUPAC Name:
ethyl 5-(1-tritylimidazol-4-yl)pentanoate
InChI:
InChI=1S/C29H30N2O2/c1-2-33-28(32)21-13-12-20-27-22-31(23-30-27)29(24-14-6-3-7-15-24,25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-11,14-19,22-23H,2,12-13,20-21H2,1H3
InChI Key:
FCJMWLSMTIKQCX-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.231g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
438.571g/mol
Monoisotopic Mass:
438.231g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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