| CAS Number | 81017-73-4 |
| Catalog Number | AG00J2J3(AGN-PC-0UIIET) |
| Chemical Name | amino(3-hydroxyphenyl)acetic acid hydrochloride |
| IUPAC Name | 2-amino-2-(3-hydroxyphenyl)acetic acid;hydrochloride |
| InChI | InChI=1S/C8H9NO3.ClH/c9-7(8(11)12)5-2-1-3-6(10)4-5;/h1-4,7,10H,9H2,(H,11,12);1H |
| InChI Key | KHWQGSMWKXKSAR-UHFFFAOYSA-N |
| MDL Number | MFCD19103264 |
| Molecular Formula | C8H10ClNO3 |
| Molecular Weight | 203.6229 |
| SMILES | Cl.NC(C(=O)O)C1=CC(=CC=C1)O |
| Synonyms | amino(3-hydroxyphenyl)acetic acid hydrochloride,
81017-73-4,
2-amino-2-(3-hydroxyphenyl)acetic acid hydrochloride,
SCHEMBL4375905,
MFCD19103264,
AKOS026740928,
MCULE-2260339561,
SC-62949,
Z1532541074,
2-Amino-2-(3-hydroxyphenyl)acetic acid,
31932-87-3,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.622g/mol |
| Monoisotopic Mass | 203.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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