Home Carboxys 6-[(Butylamino)carbonyl]-3-cyclohexene-1-carboxylic acid

6-[(Butylamino)carbonyl]-3-cyclohexene-1-carboxylic acid

CAS No.:
544451-69-6
Catalog Number:
AG00DASR
Molecular Formula:
C12H19NO3
Molecular Weight:
225.2842
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
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Product Description
Catalog Number:
AG00DASR
Chemical Name:
6-[(Butylamino)carbonyl]-3-cyclohexene-1-carboxylic acid
CAS Number:
544451-69-6
Molecular Formula:
C12H19NO3
Molecular Weight:
225.2842
MDL Number:
MFCD03379120
IUPAC Name:
6-(butylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
InChI:
InChI=1S/C12H19NO3/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(15)16/h4-5,9-10H,2-3,6-8H2,1H3,(H,13,14)(H,15,16)
InChI Key:
XLQXGWOPKIGCQT-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)C1CC=CCC1C(=O)O
Properties
Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.136g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
225.288g/mol
Monoisotopic Mass:
225.136g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties