Home Carbonyls 4-[(Cyclobutylcarbonyl)amino]benzoic acid

4-[(Cyclobutylcarbonyl)amino]benzoic acid

CAS No.:
33582-66-0
Catalog Number:
AG00C64D
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
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Product Description
Catalog Number:
AG00C64D
Chemical Name:
4-[(Cyclobutylcarbonyl)amino]benzoic acid
CAS Number:
33582-66-0
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD03236638
IUPAC Name:
4-(cyclobutanecarbonylamino)benzoic acid
InChI:
InChI=1S/C12H13NO3/c14-11(8-2-1-3-8)13-10-6-4-9(5-7-10)12(15)16/h4-8H,1-3H2,(H,13,14)(H,15,16)
InChI Key:
AQMTZERUYDGUNO-UHFFFAOYSA-N
SMILES:
O=C(C1CCC1)Nc1ccc(cc1)C(=O)O
Properties
Complexity:
278  
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