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83369-52-2 | Cyclohexanecarboxylic acid, 4-(methylamino)-
CAS No: 83369-52-2 Catalog No: AG004S58 MDL No:
Product Description
Catalog Number:
AG004S58
Chemical Name:
Cyclohexanecarboxylic acid, 4-(methylamino)-
CAS Number:
83369-52-2
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
IUPAC Name:
4-(methylamino)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C8H15NO2/c1-9-7-4-2-6(3-5-7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)
InChI Key:
DYQVRDISZFVXHV-UHFFFAOYSA-N
SMILES:
CNC1CCC(CC1)C(=O)O
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.11g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
157.213g/mol
Monoisotopic Mass:
157.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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