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Specification
The molecular formula of 2-Isocyanato-3-methyl-butyric acid methyl ester is C7H11NO3.
The synonyms for 2-Isocyanato-3-methyl-butyric acid methyl ester are:
methyl 2-isocyanato-3-methylbutanoate
2-Isocyanato-3-Methyl-Butyric Acid Methyl Ester
81428-12-8
methyl N-(oxomethylene)valinate
methyl N-(oxomethylidene)valinate
The molecular weight of 2-Isocyanato-3-methyl-butyric acid methyl ester is 157.17 g/mol.
The IUPAC name of 2-Isocyanato-3-methyl-butyric acid methyl ester is methyl 2-isocyanato-3-methylbutanoate.
The InChI of 2-Isocyanato-3-methyl-butyric acid methyl ester is InChI=1S/C7H11NO3/c1-5(2)6(8-4-9)7(10)11-3/h5-6H,1-3H3.
The InChIKey of 2-Isocyanato-3-methyl-butyric acid methyl ester is JCVZXXSBCISMLJ-UHFFFAOYSA-N.
The canonical SMILES of 2-Isocyanato-3-methyl-butyric acid methyl ester is CC(C)C(C(=O)OC)N=C=O.
The CAS number of 2-Isocyanato-3-methyl-butyric acid methyl ester is 30293-86-8.
Yes, 2-Isocyanato-3-methyl-butyric acid methyl ester is a canonicalized compound.