96849-38-6 Purity
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Specification
The molecular weight of 2-HYDROXY-4-METHOXY-beta-NITROSTYRENE is 195.17 g/mol.
The IUPAC Name of 2-HYDROXY-4-METHOXY-beta-NITROSTYRENE is 5-methoxy-2-[(Z)-2-nitroethenyl]phenol.
The InChI of 2-HYDROXY-4-METHOXY-beta-NITROSTYRENE is InChI=1S/C9H9NO4/c1-14-8-3-2-7(9(11)6-8)4-5-10(12)13/h2-6,11H,1H3/b5-4-.
The InChIKey of 2-HYDROXY-4-METHOXY-beta-NITROSTYRENE is GXJOVIFOJVFGES-PLNGDYQASA-N.
The Canonical SMILES of 2-HYDROXY-4-METHOXY-beta-NITROSTYRENE is COC1=CC(=C(C=C1)C=C[N+](=O)[O-])O.
The Isomeric SMILES of 2-HYDROXY-4-METHOXY-beta-NITROSTYRENE is COC1=CC(=C(C=C1)/C=C\[N+](=O)[O-])O.
The XLogP3 value of 2-HYDROXY-4-METHOXY-beta-NITROSTYRENE is 1.6.
2-HYDROXY-4-METHOXY-beta-NITROSTYRENE has 1 hydrogen bond donor count.
2-HYDROXY-4-METHOXY-beta-NITROSTYRENE has 4 hydrogen bond acceptor counts.
2-HYDROXY-4-METHOXY-beta-NITROSTYRENE has 2 rotatable bond counts.