Home Other Building Blocks 4-CYANOISONIPECOTIC ACID HCL

4-CYANOISONIPECOTIC ACID HCL

CAS No.:
1205750-37-3
Catalog Number:
AG01ELDH
Molecular Formula:
C7H11ClN2O2
Molecular Weight:
190.6274
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Product Description
Catalog Number:
AG01ELDH
Chemical Name:
4-CYANOISONIPECOTIC ACID HCL
CAS Number:
1205750-37-3
Molecular Formula:
C7H11ClN2O2
Molecular Weight:
190.6274
MDL Number:
MFCD12406600
IUPAC Name:
4-cyanopiperidine-4-carboxylic acid;hydrochloride
InChI:
InChI=1S/C7H10N2O2.ClH/c8-5-7(6(10)11)1-3-9-4-2-7;/h9H,1-4H2,(H,10,11);1H
InChI Key:
LCNFWIFXIWETAN-UHFFFAOYSA-N
SMILES:
N#CC1(CCNCC1)C(=O)O.Cl
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.051g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
190.627g/mol
Monoisotopic Mass:
190.051g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties