Home Carboxys 2-(2-methyl-2,3-dihydro-1H-indole-1-carbonyl)cyclohexane-1-carboxylic acid

2-(2-methyl-2,3-dihydro-1H-indole-1-carbonyl)cyclohexane-1-carboxylic acid

CAS No.:
1052596-68-5
Catalog Number:
AG01AADR
Molecular Formula:
C17H21NO3
Molecular Weight:
287.3535
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Product Description
Catalog Number:
AG01AADR
Chemical Name:
2-(2-methyl-2,3-dihydro-1H-indole-1-carbonyl)cyclohexane-1-carboxylic acid
CAS Number:
1052596-68-5
Molecular Formula:
C17H21NO3
Molecular Weight:
287.3535
MDL Number:
MFCD06059147
IUPAC Name:
2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C17H21NO3/c1-11-10-12-6-2-5-9-15(12)18(11)16(19)13-7-3-4-8-14(13)17(20)21/h2,5-6,9,11,13-14H,3-4,7-8,10H2,1H3,(H,20,21)
InChI Key:
WPCKPUAXLIGPHK-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCCC1C(=O)N1C(C)Cc2c1cccc2
Properties
Complexity:
422  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.152g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
287.359g/mol
Monoisotopic Mass:
287.152g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties