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Home > Imidazoles > 212004-37-0
212004-37-0 | 3-[1-(triphenylmethyl)-1H-imidazol-4-yl]prop-2-enoic acid
CAS No: 212004-37-0 Catalog No: AG01AUZG MDL No:
Product Description
Catalog Number:
AG01AUZG
Chemical Name:
3-[1-(triphenylmethyl)-1H-imidazol-4-yl]prop-2-enoic acid
CAS Number:
212004-37-0
Molecular Formula:
C25H20N2O2
Molecular Weight:
380.4385
IUPAC Name:
3-(1-tritylimidazol-4-yl)prop-2-enoic acid
InChI:
InChI=1S/C25H20N2O2/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/h1-19H,(H,28,29)
InChI Key:
WNXZFOIQAKDEDS-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.152g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.447g/mol
Monoisotopic Mass:
380.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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