| CAS Number | 247093-63-6 |
| Catalog Number | AG01AB1H |
| Chemical Name | (3S)-3-Amino-3-(2H-1,3-benzodioxol-5-yl)propanoic acid hydrochloride |
| IUPAC Name | (3S)-3-amino-3-(1,3-benzodioxol-5-yl)propanoic acid;hydrochloride |
| InChI | InChI=1S/C10H11NO4.ClH/c11-7(4-10(12)13)6-1-2-8-9(3-6)15-5-14-8;/h1-3,7H,4-5,11H2,(H,12,13);1H/t7-;/m0./s1 |
| InChI Key | LDMXUXCAMZBRKT-FJXQXJEOSA-N |
| MDL Number | MFCD17977031 |
| Molecular Formula | C10H12ClNO4 |
| Molecular Weight | 245.6596 |
| SMILES | Cl.N[C@@H](CC(=O)O)C1=CC2=C(OCO2)C=C1 |
| Synonyms | (3S)-3-amino-3-(2H-1,3-benzodioxol-5-yl)propanoic acid hydrochloride,
247093-63-6,
AC1Q3CI9,
SCHEMBL7976302,
MCULE-8088550847,
NE18600,
LS-16157,
EN300-70190,
Z1270400001,
(R)-3-Amino-3-(benzo[d][1,3]dioxol-5-yl)propanoic acid hydrochloride,
464931-62-2,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.659g/mol |
| Monoisotopic Mass | 245.045g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number