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827624-10-2 | L-Proline, compd. with (2S)-2-(hydroxyphenylamino)propanal (1:1)
CAS No: 827624-10-2 Catalog No: AG004THL MDL No:
Product Description
Catalog Number:
AG004THL
Chemical Name:
L-Proline, compd. with (2S)-2-(hydroxyphenylamino)propanal (1:1)
CAS Number:
827624-10-2
Molecular Formula:
C14H20N2O4
Molecular Weight:
280.3196
IUPAC Name:
(2S)-2-(N-hydroxyanilino)propanal;(2S)-pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C9H11NO2.C5H9NO2/c1-8(7-11)10(12)9-5-3-2-4-6-9;7-5(8)4-2-1-3-6-4/h2-8,12H,1H3;4,6H,1-3H2,(H,7,8)/t8-;4-/m00/s1
InChI Key:
JARNSTSESXIFPA-IPIKRLCPSA-N
SMILES:
OC(=O)[C@@H]1CCCN1.O=C[C@@H](N(c1ccccc1)O)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
280.142g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
280.324g/mol
Monoisotopic Mass:
280.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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