Home Other Building Blocks 3-(piperidin-4-yl)prop-2-ynoic acid hydrochloride

3-(piperidin-4-yl)prop-2-ynoic acid hydrochloride

CAS No.:
1955530-40-1
Catalog Number:
AG01C5O6
Molecular Formula:
C8H12ClNO2
Molecular Weight:
189.6394
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Product Description
Catalog Number:
AG01C5O6
Chemical Name:
3-(piperidin-4-yl)prop-2-ynoic acid hydrochloride
CAS Number:
1955530-40-1
Molecular Formula:
C8H12ClNO2
Molecular Weight:
189.6394
MDL Number:
MFCD29991443
IUPAC Name:
3-piperidin-4-ylprop-2-ynoic acid;hydrochloride
InChI:
InChI=1S/C8H11NO2.ClH/c10-8(11)2-1-7-3-5-9-6-4-7;/h7,9H,3-6H2,(H,10,11);1H
InChI Key:
HWQGEOVUNHTPSS-UHFFFAOYSA-N
SMILES:
OC(=O)C#CC1CCNCC1.Cl
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.056g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
189.639g/mol
Monoisotopic Mass:
189.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties