Home Carboxys 6-[(Sec-butylamino)carbonyl]cyclohex-3-ene-1-carboxylic acid

6-[(Sec-butylamino)carbonyl]cyclohex-3-ene-1-carboxylic acid

CAS No.:
1212091-63-8
Catalog Number:
AG00HG0Z
Molecular Formula:
C12H19NO3
Molecular Weight:
225.2842
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$129
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Product Description
Catalog Number:
AG00HG0Z
Chemical Name:
6-[(Sec-butylamino)carbonyl]cyclohex-3-ene-1-carboxylic acid
CAS Number:
1212091-63-8
Molecular Formula:
C12H19NO3
Molecular Weight:
225.2842
MDL Number:
MFCD06066205
IUPAC Name:
6-(butan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
InChI:
InChI=1S/C12H19NO3/c1-3-8(2)13-11(14)9-6-4-5-7-10(9)12(15)16/h4-5,8-10H,3,6-7H2,1-2H3,(H,13,14)(H,15,16)
InChI Key:
FYTSGHDTYDVNGZ-UHFFFAOYSA-N
SMILES:
CC(NC(=O)C1CC=CCC1C(=O)O)CC
Properties
Complexity:
299  
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:
4  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties