CAS
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Specification
The molecular formula is C8H9NO3.
The molecular weight is 167.16 g/mol.
The IUPAC name is methyl 3-amino-4-hydroxybenzoate.
The InChI is InChI=1S/C8H9NO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,9H2,1H3.
The InChIKey is VNQABZCSYCTZMS-UHFFFAOYSA-N.
The canonical SMILES is COC(=O)C1=CC(=C(C=C1)O)N.
The CAS number is 536-25-4.
Yes, it has 2 hydrogen bond donor count.
The topological polar surface area is 72.6Ų.
It has 2 rotatable bonds.