| CAS Number | 709043-23-2 |
| Catalog Number | AG00IC46(AGN-PC-0TYKHR) |
| Chemical Name | Amino(3-methoxyphenyl)acetic acid HCl |
| IUPAC Name | 2-amino-2-(3-methoxyphenyl)acetic acid;hydrochloride |
| InChI | InChI=1S/C9H11NO3.ClH/c1-13-7-4-2-3-6(5-7)8(10)9(11)12;/h2-5,8H,10H2,1H3,(H,11,12);1H |
| InChI Key | PQGFWAYHLXGUED-UHFFFAOYSA-N |
| MDL Number | MFCD28014037 |
| Molecular Formula | C9H12ClNO3 |
| Molecular Weight | 217.6495 |
| SMILES | Cl.COC1=CC(C(C(O)=O)N)=CC=C1 |
| Synonyms | 709043-23-2,
Amino(3-methoxyphenyl)acetic acid hydrochloride,
2-Amino-2-(3-methoxyphenyl)acetic acid hydrochloride,
AKOS026671136,
Benzeneacetic acid, a-amino-3-methoxy-, hydrochloride,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.649g/mol |
| Monoisotopic Mass | 217.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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