Home Carboxys 4-methyl-1-(prop-2-ynoyl)piperidine-4-carboxylic acid

4-methyl-1-(prop-2-ynoyl)piperidine-4-carboxylic acid

CAS No.:
1341054-38-3
Catalog Number:
AG01DT7N
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
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Product Description
Catalog Number:
AG01DT7N
Chemical Name:
4-methyl-1-(prop-2-ynoyl)piperidine-4-carboxylic acid
CAS Number:
1341054-38-3
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
MDL Number:
MFCD18271891
IUPAC Name:
4-methyl-1-prop-2-ynoylpiperidine-4-carboxylic acid
InChI:
InChI=1S/C10H13NO3/c1-3-8(12)11-6-4-10(2,5-7-11)9(13)14/h1H,4-7H2,2H3,(H,13,14)
InChI Key:
ZVKURWMFGTXVRH-UHFFFAOYSA-N
SMILES:
C#CC(=O)N1CCC(CC1)(C)C(=O)O
Properties
Complexity:
305  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties