Home Carboxys 1-acetamidocyclohexane-1-carboxylic acid

1-acetamidocyclohexane-1-carboxylic acid

CAS No.:
4854-47-1
Catalog Number:
AG019VT5
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
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Product Description
Catalog Number:
AG019VT5
Chemical Name:
1-acetamidocyclohexane-1-carboxylic acid
CAS Number:
4854-47-1
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
MDL Number:
MFCD09933315
IUPAC Name:
1-acetamidocyclohexane-1-carboxylic acid
InChI:
InChI=1S/C9H15NO3/c1-7(11)10-9(8(12)13)5-3-2-4-6-9/h2-6H2,1H3,(H,10,11)(H,12,13)
InChI Key:
APYLGUGGCARYFQ-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCCCC1)NC(=O)C
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties