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189101-41-5 | Cyclohexanecarboxylic acid, 2-amino-, (1S,2R)-
CAS No: 189101-41-5 Catalog No: AG002HW1 MDL No:MFCD07186216
Product Description
Catalog Number:
AG002HW1
Chemical Name:
Cyclohexanecarboxylic acid, 2-amino-, (1S,2R)-
CAS Number:
189101-41-5
Molecular Formula:
C7H13NO2
Molecular Weight:
143.1836
MDL Number:
MFCD07186216
IUPAC Name:
(1S,2R)-2-aminocyclohexane-1-carboxylic acid
InChI:
InChI=1S/C7H13NO2/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6+/m0/s1
InChI Key:
USQHEVWOPJDAAX-NTSWFWBYSA-N
SMILES:
N[C@@H]1CCCC[C@@H]1C(=O)O
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
143.095g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
143.186g/mol
Monoisotopic Mass:
143.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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