CAS
91131-72-5 Purity
96%
91131-72-5 Purity
96%
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Specification
The molecular formula is C11H13NO3.
The molecular weight is 207.23 g/mol.
The IUPAC name is 1-methoxy-2,3-dimethyl-4-[(Z)-2-nitroethenyl]benzene.
The InChI is InChI=1S/C11H13NO3/c1-8-9(2)11(15-3)5-4-10(8)6-7-12(13)14/h4-7H,1-3H3/b7-6-.
The InChIKey is SSYIRPOXKRYQFR-SREVYHEPSA-N.
The canonical SMILES is CC1=C(C=CC(=C1C)OC)C=C[N+](=O)[O-].
It has 0 hydrogen bond donor counts.
It has 3 hydrogen bond acceptor counts.
It has 2 rotatable bond counts.
Yes, it is considered a canonicalized compound.