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2055841-95-5 | 2-Thiophenecarboxylic acid, 5-[(1R,2R)-2-aminocyclopropyl]-, hydrochloride (1:1), rel-
CAS No: 2055841-95-5 Catalog No: AG002A7S MDL No:
Product Description
Catalog Number:
AG002A7S
Chemical Name:
2-Thiophenecarboxylic acid, 5-[(1R,2R)-2-aminocyclopropyl]-, hydrochloride (1:1), rel-
CAS Number:
2055841-95-5
Molecular Formula:
C8H10ClNO2S
Molecular Weight:
219.6885
IUPAC Name:
5-[(1S,2S)-2-aminocyclopropyl]thiophene-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C8H9NO2S.ClH/c9-5-3-4(5)6-1-2-7(12-6)8(10)11;/h1-2,4-5H,3,9H2,(H,10,11);1H/t4-,5-;/m0./s1
InChI Key:
PMSJXGPYKIGQAA-FHAQVOQBSA-N
SMILES:
N[C@H]1C[C@@H]1c1ccc(s1)C(=O)O.Cl
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
219.012g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
219.683g/mol
Monoisotopic Mass:
219.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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