83915-83-7 Purity
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Specification
PubChem CID 46911801.
The molecular formula is C9H9NO3.
The synonyms include Methyl 4-amino-3-formylbenzoate, 841296-15-9, MFCD16660047, and 4-AMINO-3-FORMYL-BENZOIC ACID METHYL ESTER.
The molecular weight is 179.17 g/mol.
The IUPAC name is methyl 4-amino-3-formylbenzoate.
The InChI is InChI=1S/C9H9NO3/c1-13-9(12)6-2-3-8(10)7(4-6)5-11/h2-5H,10H2,1H3.
The InChIKey is VNDSSJJSVMYZKF-UHFFFAOYSA-N.
The Canonical SMILES is COC(=O)C1=CC(=C(C=C1)N)C=O.
The CAS number is 841296-15-9.
No, 4-Amino-3-formyl-benzoic acid methyl ester does not have a defined atom stereocenter.