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16524-13-3 | Cyclohexanecarboxylic acid, 2-(benzoylamino)-
CAS No: 16524-13-3 Catalog No: AG001W17 MDL No:
Product Description
Catalog Number:
AG001W17
Chemical Name:
Cyclohexanecarboxylic acid, 2-(benzoylamino)-
CAS Number:
16524-13-3
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
IUPAC Name:
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)
InChI Key:
PUANNVQABXUYKU-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCCC1NC(=O)c1ccccc1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Synthesis of chiral 1,3-diamines derived from cis-2-benzamidocyclohexanecarboxylic acid and their application in the Cu-catalyzed enantioselective Henry reaction. | Chemistry (Weinheim an der Bergstrasse, Germany) 20111125 |
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