| CAS Number | 1822502-44-2 |
| Catalog Number | AG00AT9R |
| Chemical Name | 3,5-DHPG HCl |
| IUPAC Name | 2-amino-2-(3,5-dihydroxyphenyl)acetic acid;hydrochloride |
| InChI | InChI=1S/C8H9NO4.ClH/c9-7(8(12)13)4-1-5(10)3-6(11)2-4;/h1-3,7,10-11H,9H2,(H,12,13);1H |
| InChI Key | YZUABCCLGVXZIF-UHFFFAOYSA-N |
| MDL Number | MFCD29035078 |
| Molecular Formula | C8H10ClNO4 |
| Molecular Weight | 219.6223 |
| SMILES | Cl.NC(C1=CC(O)=CC(O)=C1)C(O)=O |
| Synonyms | (+/-)-3,5-DHPG HCl,
2-amino-2-(3,5-dihydroxyphenyl)acetic acid hydrochloride,
1822502-44-2,
19641-83-9,
C8H9NO4.HCl,
3,5-DHPG HCl,
AOB7373,
SYN5153,
(+/-)-3,5-DHPG Hydrochloride,
AS-16515,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.621g/mol |
| Monoisotopic Mass | 219.03g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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