Home Carbonyls 3-[(Cyclobutylcarbonyl)amino]benzoic acid

3-[(Cyclobutylcarbonyl)amino]benzoic acid

CAS No.:
33582-65-9
Catalog Number:
AG00C5UI
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
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Product Description
Catalog Number:
AG00C5UI
Chemical Name:
3-[(Cyclobutylcarbonyl)amino]benzoic acid
CAS Number:
33582-65-9
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD03838758
IUPAC Name:
3-(cyclobutanecarbonylamino)benzoic acid
InChI:
InChI=1S/C12H13NO3/c14-11(8-3-1-4-8)13-10-6-2-5-9(7-10)12(15)16/h2,5-8H,1,3-4H2,(H,13,14)(H,15,16)
InChI Key:
NJLRSCHEZMZLPN-UHFFFAOYSA-N
SMILES:
O=C(C1CCC1)Nc1cccc(c1)C(=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:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties