Home Carbonyls 3-(Piperazine-1-carbonyl)-benzoic acid

3-(Piperazine-1-carbonyl)-benzoic acid

CAS No.:
691394-19-1
Catalog Number:
AG01EWZ9
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
1 week
United States
$239
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Product Description
Catalog Number:
AG01EWZ9
Chemical Name:
3-(Piperazine-1-carbonyl)-benzoic acid
CAS Number:
691394-19-1
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
MDL Number:
MFCD04116559
IUPAC Name:
3-(piperazine-1-carbonyl)benzoic acid
InChI:
InChI=1S/C12H14N2O3/c15-11(14-6-4-13-5-7-14)9-2-1-3-10(8-9)12(16)17/h1-3,8,13H,4-7H2,(H,16,17)
InChI Key:
NSOCCKDGIKMYLV-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)C(=O)O)N1CCNCC1
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.1g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
234.255g/mol
Monoisotopic Mass:
234.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2  
Properties