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158414-45-0 | Cyclohexanecarboxylic acid, 2-amino-, hydrochloride (1:1), (1S,2R)-
CAS No: 158414-45-0 Catalog No: AG001Q5Z MDL No:MFCD04112720
Product Description
Catalog Number:
AG001Q5Z
Chemical Name:
Cyclohexanecarboxylic acid, 2-amino-, hydrochloride (1:1), (1S,2R)-
CAS Number:
158414-45-0
Molecular Formula:
C7H14ClNO2
Molecular Weight:
179.6446
MDL Number:
MFCD04112720
IUPAC Name:
(1S,2R)-2-aminocyclohexane-1-carboxylic acid;hydrochloride
InChI:
InChI=1S/C7H13NO2.ClH/c8-6-4-2-1-3-5(6)7(9)10;/h5-6H,1-4,8H2,(H,9,10);1H/t5-,6+;/m0./s1
InChI Key:
QNIOBHOEZYKCJV-RIHPBJNCSA-N
SMILES:
N[C@@H]1CCCC[C@@H]1C(=O)O.Cl
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
179.071g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
179.644g/mol
Monoisotopic Mass:
179.071g/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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