1H-Azepine-4-carboxylic acid, hexahydro-1-methyl-


Chemical Name: 1H-Azepine-4-carboxylic acid, hexahydro-1-methyl-
CAS Number: 1027512-62-4
Product Number: AG00H9UP(AGN-PC-0WAKNJ)
Synonyms:
MDL No:
Molecular Formula:
Molecular Weight:

Identification/Properties


Computed Properties
Molecular Weight:
157.213g/mol
XLogP3:
-1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
157.11g/mol
Monoisotopic Mass:
157.11g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
147
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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