Home Carboxys (1S,2R)-2-Benzamidocyclohexanecarboxylic acid

(1S,2R)-2-Benzamidocyclohexanecarboxylic acid

CAS No.:
26685-82-5
Catalog Number:
AG003BCJ
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
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Product Description
Catalog Number:
AG003BCJ
Chemical Name:
(1S,2R)-2-Benzamidocyclohexanecarboxylic acid
CAS Number:
26685-82-5
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
MDL Number:
MFCD00078300
IUPAC Name:
(1S,2R)-2-benzamidocyclohexane-1-carboxylic acid
InChI:
InChI=1S/C14H17NO3/c16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18/h1-3,6-7,11-12H,4-5,8-9H2,(H,15,16)(H,17,18)/t11-,12+/m0/s1
InChI Key:
PUANNVQABXUYKU-NWDGAFQWSA-N
SMILES:
OC(=O)[C@H]1CCCC[C@H]1NC(=O)c1ccccc1
Properties
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties