Home Carboxys 1-acetamido-4-methylcyclohexane-1-carboxylic acid

1-acetamido-4-methylcyclohexane-1-carboxylic acid

CAS No.:
90978-97-5
Catalog Number:
AG019XLS
Molecular Formula:
C10H17NO3
Molecular Weight:
199.2469
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Product Description
Catalog Number:
AG019XLS
Chemical Name:
1-acetamido-4-methylcyclohexane-1-carboxylic acid
CAS Number:
90978-97-5
Molecular Formula:
C10H17NO3
Molecular Weight:
199.2469
IUPAC Name:
1-acetamido-4-methylcyclohexane-1-carboxylic acid
InChI:
InChI=1S/C10H17NO3/c1-7-3-5-10(6-4-7,9(13)14)11-8(2)12/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChI Key:
JPJANBPGVXZDAY-UHFFFAOYSA-N
SMILES:
CC1CCC(CC1)(NC(=O)C)C(=O)O
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.121g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
199.25g/mol
Monoisotopic Mass:
199.121g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties