200,000+ products from a single source!
sales@angenechem.com
130495-08-8 | 1-Pyrrolidinecarboxylic acid, 2-ethynyl-, 1,1-dimethylethyl ester, (2S)-
CAS No: 130495-08-8 Catalog No: AG000UIA MDL No:MFCD10698161
Product Description
Catalog Number:
AG000UIA
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-ethynyl-, 1,1-dimethylethyl ester, (2S)-
CAS Number:
130495-08-8
Molecular Formula:
C11H17NO2
Molecular Weight:
195.2582
MDL Number:
MFCD10698161
IUPAC Name:
tert-butyl (2S)-2-ethynylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C11H17NO2/c1-5-9-7-6-8-12(9)10(13)14-11(2,3)4/h1,9H,6-8H2,2-4H3/t9-/m1/s1
InChI Key:
MKFYNQAKTJFISL-SECBINFHSA-N
SMILES:
C#C[C@@H]1CCCN1C(=O)OC(C)(C)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
195.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.262g/mol
Monoisotopic Mass:
195.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.