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191611-20-8 | Cyclohexaneacetic acid, α-amino-, hydrochloride (1:1), (αS)-
CAS No: 191611-20-8 Catalog No: AG002FDJ MDL No:MFCD00050539
Product Description
Catalog Number:
AG002FDJ
Chemical Name:
Cyclohexaneacetic acid, α-amino-, hydrochloride (1:1), (αS)-
CAS Number:
191611-20-8
Molecular Formula:
C8H16ClNO2
Molecular Weight:
193.6711
MDL Number:
MFCD00050539
IUPAC Name:
(2S)-2-amino-2-cyclohexylacetic acid;hydrochloride
InChI:
InChI=1S/C8H15NO2.ClH/c9-7(8(10)11)6-4-2-1-3-5-6;/h6-7H,1-5,9H2,(H,10,11);1H/t7-;/m0./s1
InChI Key:
QMUIOFNZAZPFFT-FJXQXJEOSA-N
SMILES:
N[C@H](C(=O)O)C1CCCCC1.Cl
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
193.087g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
193.671g/mol
Monoisotopic Mass:
193.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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