Home Carboxys rac-(1r,4r)-4-acetamidocyclohexane-1-carboxylic acid, trans

rac-(1r,4r)-4-acetamidocyclohexane-1-carboxylic acid, trans

CAS No.:
102390-34-1
Catalog Number:
AG01DUXB
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
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Product Description
Catalog Number:
AG01DUXB
Chemical Name:
rac-(1r,4r)-4-acetamidocyclohexane-1-carboxylic acid, trans
CAS Number:
102390-34-1
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
MDL Number:
MFCD22195255
IUPAC Name:
4-acetamidocyclohexane-1-carboxylic acid
InChI:
InChI=1S/C9H15NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h7-8H,2-5H2,1H3,(H,10,11)(H,12,13)
InChI Key:
RQFVEAIRYQPUCC-UHFFFAOYSA-N
SMILES:
CC(=O)N[C@@H]1CC[C@H](CC1)C(=O)O
Properties
Complexity:
207  
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:
0.3  
Properties