CAS
98746-78-6 Purity
96%
98746-78-6 Purity
96%
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Specification
The molecular formula is C10H13NO4.
The molecular weight is 211.21 g/mol.
The IUPAC Name is 2-amino-3-(2-hydroxy-3-methoxyphenyl)propanoic acid.
The InChIKey is OUMMDXARLVWXRD-UHFFFAOYSA-N.
The Canonical SMILES is COC1=CC=CC(=C1O)CC(C(=O)O)N.
The CAS number is 98758-16-8.
The XLogP3-AA value is -1.8.
It has 3 hydrogen bond donor counts.
It has 5 hydrogen bond acceptor counts.
Yes, it is a canonicalized compound.