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888323-73-7 | (1R,2R)-1-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid hydrochloride
CAS No: 888323-73-7 Catalog No: AG004A3E MDL No:
Product Description
Catalog Number:
AG004A3E
Chemical Name:
(1R,2R)-1-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid hydrochloride
CAS Number:
888323-73-7
Molecular Formula:
C11H14ClNO2
Molecular Weight:
227.6874
IUPAC Name:
(1R,2R)-1-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C11H13NO2.ClH/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14;/h1-4,9-10H,5-6,12H2,(H,13,14);1H/t9-,10+;/m1./s1
InChI Key:
LFTPHDSELSULAP-UXQCFNEQSA-N
SMILES:
OC(=O)[C@@H]1CCc2c([C@@H]1N)cccc2.Cl
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
227.071g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
227.688g/mol
Monoisotopic Mass:
227.071g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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