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131180-40-0 | L-Proline, 1-(chlorocarbonyl)-
CAS No: 131180-40-0 Catalog No: AG000VOD MDL No:
Product Description
Catalog Number:
AG000VOD
Chemical Name:
L-Proline, 1-(chlorocarbonyl)-
CAS Number:
131180-40-0
Molecular Formula:
C6H8ClNO3
Molecular Weight:
177.5856
IUPAC Name:
(2S)-1-carbonochloridoylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C6H8ClNO3/c7-6(11)8-3-1-2-4(8)5(9)10/h4H,1-3H2,(H,9,10)/t4-/m0/s1
InChI Key:
GEQHKPFNCBCFSB-BYPYZUCNSA-N
SMILES:
ClC(=O)N1CCC[C@H]1C(=O)O
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
177.019g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.584g/mol
Monoisotopic Mass:
177.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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