89899-56-9 Purity
96%
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Specification
The molecular formula of Chembrdg-bb 9016126 is C12H12N4O3.
The synonym for Chembrdg-bb 9016126 is 2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]acetic Acid.
The molecular weight of Chembrdg-bb 9016126 is 260.25 g/mol.
The IUPAC name of Chembrdg-bb 9016126 is 2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]acetic acid.
The InChI of Chembrdg-bb 9016126 is InChI=1S/C12H12N4O3/c1-2-7-19-10-5-3-9(4-6-10)12-13-15-16(14-12)8-11(17)18/h2-6H,1,7-8H2,(H,17,18).
The InChIKey of Chembrdg-bb 9016126 is ZQBJZFTXEOEXEG-UHFFFAOYSA-N.
The canonical SMILES of Chembrdg-bb 9016126 is C=CCOC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)O.
The CAS number of Chembrdg-bb 9016126 is 899009-67-7.
The hydrogen bond donor count of Chembrdg-bb 9016126 is 1.
Yes, Chembrdg-bb 9016126 is a canonicalized compound.