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130654-09-0 | L-Proline, 1-[1-oxo-4-(2-thienyl)butyl]-
CAS No: 130654-09-0 Catalog No: AG000URF MDL No:MFCD00912356
Product Description
Catalog Number:
AG000URF
Chemical Name:
L-Proline, 1-[1-oxo-4-(2-thienyl)butyl]-
CAS Number:
130654-09-0
Molecular Formula:
C13H17NO3S
Molecular Weight:
267.3440
MDL Number:
MFCD00912356
IUPAC Name:
(2S)-1-(4-thiophen-2-ylbutanoyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C13H17NO3S/c15-12(7-1-4-10-5-3-9-18-10)14-8-2-6-11(14)13(16)17/h3,5,9,11H,1-2,4,6-8H2,(H,16,17)/t11-/m0/s1
InChI Key:
GHRLHKHZERTTHD-NSHDSACASA-N
SMILES:
OC(=O)[C@@H]1CCCN1C(=O)CCCc1cccs1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
267.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.343g/mol
Monoisotopic Mass:
267.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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