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197247-92-0 | Cyclohexanecarboxylic acid, 1-amino-2-hydroxy-, (1R,2R)-
CAS No: 197247-92-0 Catalog No: AG002AOP MDL No:
Product Description
Catalog Number:
AG002AOP
Chemical Name:
Cyclohexanecarboxylic acid, 1-amino-2-hydroxy-, (1R,2R)-
CAS Number:
197247-92-0
Molecular Formula:
C7H13NO3
Molecular Weight:
159.1830
IUPAC Name:
(1R,2R)-1-amino-2-hydroxycyclohexane-1-carboxylic acid
InChI:
InChI=1S/C7H13NO3/c8-7(6(10)11)4-2-1-3-5(7)9/h5,9H,1-4,8H2,(H,10,11)/t5-,7-/m1/s1
InChI Key:
HKGFWUMHFPBUDO-IYSWYEEDSA-N
SMILES:
O[C@@H]1CCCC[C@]1(N)C(=O)O
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
159.09g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
159.185g/mol
Monoisotopic Mass:
159.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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