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Home > Nitro Compounds > 88476-99-7
88476-99-7 | L-Serine,N-(1-nitroso-L-prolyl)- (9CI)
CAS No: 88476-99-7 Catalog No: AG004AFS MDL No:
Product Description
Catalog Number:
AG004AFS
Chemical Name:
L-Serine,N-(1-nitroso-L-prolyl)- (9CI)
CAS Number:
88476-99-7
Molecular Formula:
C8H13N3O5
Molecular Weight:
231.2059
IUPAC Name:
(2S)-3-hydroxy-2-[[(2S)-1-nitrosopyrrolidine-2-carbonyl]amino]propanoic acid
InChI:
InChI=1S/C8H13N3O5/c12-4-5(8(14)15)9-7(13)6-2-1-3-11(6)10-16/h5-6,12H,1-4H2,(H,9,13)(H,14,15)/t5-,6-/m0/s1
InChI Key:
QHSASQZLOYREMH-WDSKDSINSA-N
SMILES:
OC[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1N=O
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
231.086g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
231.208g/mol
Monoisotopic Mass:
231.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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